----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:23:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.538080020000000 Atomic positions (fractional): *1 Mg 0.86862319013882 0.05728502233954 0.00014834847178 24.305 *2 Mg 0.34856699032910 0.85161845560386 0.51001035079122 24.305 3 Mg 0.63137680986118 0.55728502233954 0.50014834847178 24.305 4 Mg 0.63137680986118 0.94271497766046 0.50014834847178 24.305 *5 Mg 0.08095654502472 0.75000000000000 0.49898591918369 24.305 6 Mg 0.86862319013882 0.44271497766046 0.00014834847178 24.305 7 Mg 0.13137680986118 0.55728502233954 0.99985165152822 24.305 8 Mg 0.84856699032910 0.64838154439614 0.98998964920878 24.305 9 Mg 0.91904345497528 0.25000000000000 0.50101408081631 24.305 10 Mg 0.84856699032910 0.85161845560386 0.98998964920878 24.305 11 Mg 0.36862319013882 0.05728502233954 0.49985165152822 24.305 12 Mg 0.41904345497528 0.25000000000000 0.99898591918369 24.305 13 Mg 0.15143300967090 0.14838154439614 0.01001035079122 24.305 14 Mg 0.34856699032910 0.64838154439614 0.51001035079122 24.305 15 Mg 0.15143300967090 0.35161845560386 0.01001035079122 24.305 16 Mg 0.65143300967090 0.35161845560386 0.48998964920878 24.305 17 Mg 0.13137680986118 0.94271497766046 0.99985165152822 24.305 18 Mg 0.36862319013882 0.44271497766046 0.49985165152822 24.305 19 Mg 0.65143300967090 0.14838154439614 0.48998964920878 24.305 20 Mg 0.58095654502472 0.75000000000000 0.00101408081631 24.305 *21 B 0.42655063315730 0.57537406740022 0.96353435622237 10.811 22 B 0.07344936684270 0.07537406740022 0.46353435622237 10.811 *23 B 0.72341772345509 0.75000000000000 0.45381946884659 10.811 24 B 0.77658227654491 0.25000000000000 0.95381946884659 10.811 25 B 0.57344936684270 0.07537406740022 0.03646564377763 10.811 26 B 0.92655063315730 0.57537406740022 0.53646564377763 10.811 27 B 0.22341772345509 0.75000000000000 0.04618053115341 10.811 28 B 0.07344936684270 0.42462593259978 0.46353435622237 10.811 29 B 0.57344936684270 0.42462593259978 0.03646564377763 10.811 30 B 0.27658227654491 0.25000000000000 0.54618053115341 10.811 31 B 0.42655063315730 0.92462593259978 0.96353435622237 10.811 32 B 0.92655063315730 0.92462593259978 0.53646564377763 10.811 *33 O 0.94674526330471 0.94607842016285 0.24338773876112 15.999 *34 O 0.00870181849053 0.86493144405908 0.69009811794172 15.999 *35 O 0.20107808296173 0.82912997723300 0.20247102346962 15.999 36 O 0.55325473669529 0.44607842016285 0.74338773876112 15.999 37 O 0.05325473669529 0.05392157983715 0.75661226123888 15.999 *38 O 0.81547725403994 0.54523978653655 0.69473578767288 15.999 39 O 0.94674526330471 0.55392157983715 0.24338773876112 15.999 40 O 0.18452274596005 0.45476021346345 0.30526421232712 15.999 41 O 0.31547725403994 0.54523978653655 0.80526421232712 15.999 *42 O 0.75482590387571 0.75000000000000 0.74939725150767 15.999 43 O 0.70107808296173 0.67087002276700 0.29752897653038 15.999 44 O 0.00870181849053 0.63506855594092 0.69009811794172 15.999 45 O 0.81547725403994 0.95476021346345 0.69473578767288 15.999 46 O 0.55325473669529 0.05392157983715 0.74338773876112 15.999 47 O 0.44674526330471 0.55392157983715 0.25661226123888 15.999 48 O 0.05325473669529 0.44607842016285 0.75661226123888 15.999 49 O 0.68452274596006 0.45476021346345 0.19473578767288 15.999 50 O 0.99129818150947 0.36493144405908 0.30990188205828 15.999 51 O 0.49129818150947 0.13506855594092 0.19009811794172 15.999 52 O 0.24517409612429 0.25000000000000 0.25060274849233 15.999 53 O 0.70107808296173 0.82912997723300 0.29752897653038 15.999 54 O 0.79892191703827 0.32912997723300 0.79752897653038 15.999 55 O 0.99129818150947 0.13506855594092 0.30990188205828 15.999 56 O 0.29892191703827 0.17087002276700 0.70247102346962 15.999 57 O 0.25482590387571 0.75000000000000 0.75060274849233 15.999 58 O 0.79892191703827 0.17087002276700 0.79752897653038 15.999 59 O 0.44674526330471 0.94607842016285 0.25661226123888 15.999 60 O 0.31547725403994 0.95476021346345 0.80526421232712 15.999 61 O 0.50870181849053 0.86493144405908 0.80990188205828 15.999 62 O 0.29892191703827 0.32912997723300 0.70247102346962 15.999 63 O 0.18452274596005 0.04523978653655 0.30526421232712 15.999 64 O 0.74517409612429 0.25000000000000 0.24939725150767 15.999 65 O 0.49129818150947 0.36493144405908 0.19009811794172 15.999 66 O 0.20107808296173 0.67087002276700 0.20247102346962 15.999 67 O 0.68452274596006 0.04523978653655 0.19473578767288 15.999 68 O 0.50870181849053 0.63506855594092 0.80990188205828 15.999 *69 F 0.05732451637232 0.25000000000000 0.81308837708577 18.998 70 F 0.94267548362768 0.75000000000000 0.18691162291423 18.998 71 F 0.55732451637232 0.25000000000000 0.68691162291423 18.998 72 F 0.44267548362768 0.75000000000000 0.31308837708577 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.538080020000000 Atomic positions (fractional): *1 Mg 0.86862319013882 0.05728502233954 0.00014834847178 24.305 > 1 *2 Mg 0.34856699032910 0.85161845560386 0.51001035079122 24.305 > 2 3 Mg 0.63137680986118 0.55728502233954 0.50014834847178 24.305 > 3 4 Mg 0.63137680986118 0.94271497766046 0.50014834847178 24.305 > 4 *5 Mg 0.08095654502472 0.75000000000000 0.49898591918369 24.305 > 5 6 Mg 0.86862319013882 0.44271497766046 0.00014834847178 24.305 > 6 7 Mg 0.13137680986118 0.55728502233954 0.99985165152822 24.305 > 7 8 Mg 0.84856699032910 0.64838154439614 0.98998964920878 24.305 > 8 9 Mg 0.91904345497528 0.25000000000000 0.50101408081631 24.305 > 9 10 Mg 0.84856699032910 0.85161845560386 0.98998964920878 24.305 > 10 11 Mg 0.36862319013882 0.05728502233954 0.49985165152822 24.305 > 11 12 Mg 0.41904345497528 0.25000000000000 0.99898591918369 24.305 > 12 13 Mg 0.15143300967090 0.14838154439614 0.01001035079122 24.305 > 13 14 Mg 0.34856699032910 0.64838154439614 0.51001035079122 24.305 > 14 15 Mg 0.15143300967090 0.35161845560386 0.01001035079122 24.305 > 15 16 Mg 0.65143300967090 0.35161845560386 0.48998964920878 24.305 > 16 17 Mg 0.13137680986118 0.94271497766046 0.99985165152822 24.305 > 17 18 Mg 0.36862319013882 0.44271497766046 0.49985165152822 24.305 > 18 19 Mg 0.65143300967090 0.14838154439614 0.48998964920878 24.305 > 19 20 Mg 0.58095654502472 0.75000000000000 0.00101408081631 24.305 > 20 *21 B 0.42655063315730 0.57537406740022 0.96353435622237 10.811 > 21 22 B 0.07344936684270 0.07537406740022 0.46353435622237 10.811 > 22 *23 B 0.72341772345509 0.75000000000000 0.45381946884659 10.811 > 23 24 B 0.77658227654491 0.25000000000000 0.95381946884659 10.811 > 24 25 B 0.57344936684270 0.07537406740022 0.03646564377763 10.811 > 25 26 B 0.92655063315730 0.57537406740022 0.53646564377763 10.811 > 26 27 B 0.22341772345509 0.75000000000000 0.04618053115341 10.811 > 27 28 B 0.07344936684270 0.42462593259978 0.46353435622237 10.811 > 28 29 B 0.57344936684270 0.42462593259978 0.03646564377763 10.811 > 29 30 B 0.27658227654491 0.25000000000000 0.54618053115341 10.811 > 30 31 B 0.42655063315730 0.92462593259978 0.96353435622237 10.811 > 31 32 B 0.92655063315730 0.92462593259978 0.53646564377763 10.811 > 32 *33 O 0.94674526330471 0.94607842016285 0.24338773876112 15.999 > 33 *34 O 0.00870181849053 0.86493144405908 0.69009811794172 15.999 > 34 *35 O 0.20107808296173 0.82912997723300 0.20247102346962 15.999 > 35 36 O 0.55325473669529 0.44607842016285 0.74338773876112 15.999 > 36 37 O 0.05325473669529 0.05392157983715 0.75661226123888 15.999 > 37 *38 O 0.81547725403994 0.54523978653655 0.69473578767288 15.999 > 38 39 O 0.94674526330471 0.55392157983715 0.24338773876112 15.999 > 39 40 O 0.18452274596005 0.45476021346345 0.30526421232712 15.999 > 40 41 O 0.31547725403994 0.54523978653655 0.80526421232712 15.999 > 41 *42 O 0.75482590387571 0.75000000000000 0.74939725150767 15.999 > 42 43 O 0.70107808296173 0.67087002276700 0.29752897653038 15.999 > 43 44 O 0.00870181849053 0.63506855594092 0.69009811794172 15.999 > 44 45 O 0.81547725403994 0.95476021346345 0.69473578767288 15.999 > 45 46 O 0.55325473669529 0.05392157983715 0.74338773876112 15.999 > 46 47 O 0.44674526330471 0.55392157983715 0.25661226123888 15.999 > 47 48 O 0.05325473669529 0.44607842016285 0.75661226123888 15.999 > 48 49 O 0.68452274596006 0.45476021346345 0.19473578767288 15.999 > 49 50 O 0.99129818150947 0.36493144405908 0.30990188205828 15.999 > 50 51 O 0.49129818150947 0.13506855594092 0.19009811794172 15.999 > 51 52 O 0.24517409612429 0.25000000000000 0.25060274849233 15.999 > 52 53 O 0.70107808296173 0.82912997723300 0.29752897653038 15.999 > 53 54 O 0.79892191703827 0.32912997723300 0.79752897653038 15.999 > 54 55 O 0.99129818150947 0.13506855594092 0.30990188205828 15.999 > 55 56 O 0.29892191703827 0.17087002276700 0.70247102346962 15.999 > 56 57 O 0.25482590387571 0.75000000000000 0.75060274849233 15.999 > 57 58 O 0.79892191703827 0.17087002276700 0.79752897653038 15.999 > 58 59 O 0.44674526330471 0.94607842016285 0.25661226123888 15.999 > 59 60 O 0.31547725403994 0.95476021346345 0.80526421232712 15.999 > 60 61 O 0.50870181849053 0.86493144405908 0.80990188205828 15.999 > 61 62 O 0.29892191703827 0.32912997723300 0.70247102346962 15.999 > 62 63 O 0.18452274596005 0.04523978653655 0.30526421232712 15.999 > 63 64 O 0.74517409612429 0.25000000000000 0.24939725150767 15.999 > 64 65 O 0.49129818150947 0.36493144405908 0.19009811794172 15.999 > 65 66 O 0.20107808296173 0.67087002276700 0.20247102346962 15.999 > 66 67 O 0.68452274596006 0.04523978653655 0.19473578767288 15.999 > 67 68 O 0.50870181849053 0.63506855594092 0.80990188205828 15.999 > 68 *69 F 0.05732451637232 0.25000000000000 0.81308837708577 18.998 > 69 70 F 0.94267548362768 0.75000000000000 0.18691162291423 18.998 > 70 71 F 0.55732451637232 0.25000000000000 0.68691162291423 18.998 > 71 72 F 0.44267548362768 0.75000000000000 0.31308837708577 18.998 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.076160040000000 Atomic positions (fractional): *1 Mg 0.86862319013882 0.05728502233954 0.00007417423589 24.305 > 1 2 Mg 0.86862319013882 0.05728502233954 0.50007417423589 24.305 > 1 *3 Mg 0.34856699032910 0.85161845560386 0.25500517539561 24.305 > 2 4 Mg 0.34856699032910 0.85161845560386 0.75500517539561 24.305 > 2 5 Mg 0.63137680986118 0.55728502233954 0.25007417423589 24.305 > 3 6 Mg 0.63137680986118 0.55728502233954 0.75007417423589 24.305 > 3 7 Mg 0.63137680986118 0.94271497766046 0.25007417423589 24.305 > 4 8 Mg 0.63137680986118 0.94271497766046 0.75007417423589 24.305 > 4 *9 Mg 0.08095654502472 0.75000000000000 0.24949295959185 24.305 > 5 10 Mg 0.08095654502472 0.75000000000000 0.74949295959185 24.305 > 5 11 Mg 0.86862319013882 0.44271497766046 0.00007417423589 24.305 > 6 12 Mg 0.86862319013882 0.44271497766046 0.50007417423589 24.305 > 6 13 Mg 0.13137680986118 0.55728502233954 0.49992582576411 24.305 > 7 14 Mg 0.13137680986118 0.55728502233954 0.99992582576411 24.305 > 7 15 Mg 0.84856699032910 0.64838154439614 0.49499482460439 24.305 > 8 16 Mg 0.84856699032910 0.64838154439614 0.99499482460439 24.305 > 8 17 Mg 0.91904345497528 0.25000000000000 0.25050704040815 24.305 > 9 18 Mg 0.91904345497528 0.25000000000000 0.75050704040815 24.305 > 9 19 Mg 0.84856699032910 0.85161845560386 0.49499482460439 24.305 > 10 20 Mg 0.84856699032910 0.85161845560386 0.99499482460439 24.305 > 10 21 Mg 0.36862319013882 0.05728502233954 0.24992582576411 24.305 > 11 22 Mg 0.36862319013882 0.05728502233954 0.74992582576411 24.305 > 11 23 Mg 0.41904345497528 0.25000000000000 0.49949295959185 24.305 > 12 24 Mg 0.41904345497528 0.25000000000000 0.99949295959185 24.305 > 12 25 Mg 0.15143300967090 0.14838154439614 0.00500517539561 24.305 > 13 26 Mg 0.15143300967090 0.14838154439614 0.50500517539561 24.305 > 13 27 Mg 0.34856699032910 0.64838154439614 0.25500517539561 24.305 > 14 28 Mg 0.34856699032910 0.64838154439614 0.75500517539561 24.305 > 14 29 Mg 0.15143300967090 0.35161845560386 0.00500517539561 24.305 > 15 30 Mg 0.15143300967090 0.35161845560386 0.50500517539561 24.305 > 15 31 Mg 0.65143300967090 0.35161845560386 0.24499482460439 24.305 > 16 32 Mg 0.65143300967090 0.35161845560386 0.74499482460439 24.305 > 16 33 Mg 0.13137680986118 0.94271497766046 0.49992582576411 24.305 > 17 34 Mg 0.13137680986118 0.94271497766046 0.99992582576411 24.305 > 17 35 Mg 0.36862319013882 0.44271497766046 0.24992582576411 24.305 > 18 36 Mg 0.36862319013882 0.44271497766046 0.74992582576411 24.305 > 18 37 Mg 0.65143300967090 0.14838154439614 0.24499482460439 24.305 > 19 38 Mg 0.65143300967090 0.14838154439614 0.74499482460439 24.305 > 19 39 Mg 0.58095654502472 0.75000000000000 0.00050704040815 24.305 > 20 40 Mg 0.58095654502472 0.75000000000000 0.50050704040815 24.305 > 20 *41 B 0.42655063315730 0.57537406740022 0.48176717811118 10.811 > 21 42 B 0.42655063315730 0.57537406740022 0.98176717811118 10.811 > 21 43 B 0.07344936684270 0.07537406740022 0.23176717811118 10.811 > 22 44 B 0.07344936684270 0.07537406740022 0.73176717811118 10.811 > 22 *45 B 0.72341772345509 0.75000000000000 0.22690973442330 10.811 > 23 46 B 0.72341772345509 0.75000000000000 0.72690973442330 10.811 > 23 47 B 0.77658227654491 0.25000000000000 0.47690973442330 10.811 > 24 48 B 0.77658227654491 0.25000000000000 0.97690973442330 10.811 > 24 49 B 0.57344936684270 0.07537406740022 0.01823282188882 10.811 > 25 50 B 0.57344936684270 0.07537406740022 0.51823282188882 10.811 > 25 51 B 0.92655063315730 0.57537406740022 0.26823282188882 10.811 > 26 52 B 0.92655063315730 0.57537406740022 0.76823282188882 10.811 > 26 53 B 0.22341772345509 0.75000000000000 0.02309026557670 10.811 > 27 54 B 0.22341772345509 0.75000000000000 0.52309026557670 10.811 > 27 55 B 0.07344936684270 0.42462593259978 0.23176717811118 10.811 > 28 56 B 0.07344936684270 0.42462593259978 0.73176717811118 10.811 > 28 57 B 0.57344936684270 0.42462593259978 0.01823282188882 10.811 > 29 58 B 0.57344936684270 0.42462593259978 0.51823282188882 10.811 > 29 59 B 0.27658227654491 0.25000000000000 0.27309026557670 10.811 > 30 60 B 0.27658227654491 0.25000000000000 0.77309026557670 10.811 > 30 61 B 0.42655063315730 0.92462593259978 0.48176717811118 10.811 > 31 62 B 0.42655063315730 0.92462593259978 0.98176717811118 10.811 > 31 63 B 0.92655063315730 0.92462593259978 0.26823282188882 10.811 > 32 64 B 0.92655063315730 0.92462593259978 0.76823282188882 10.811 > 32 *65 O 0.94674526330471 0.94607842016285 0.12169386938056 15.999 > 33 66 O 0.94674526330471 0.94607842016285 0.62169386938056 15.999 > 33 *67 O 0.00870181849053 0.86493144405908 0.34504905897086 15.999 > 34 68 O 0.00870181849053 0.86493144405908 0.84504905897086 15.999 > 34 *69 O 0.20107808296173 0.82912997723300 0.10123551173481 15.999 > 35 70 O 0.20107808296173 0.82912997723300 0.60123551173481 15.999 > 35 71 O 0.55325473669529 0.44607842016285 0.37169386938056 15.999 > 36 72 O 0.55325473669529 0.44607842016285 0.87169386938056 15.999 > 36 73 O 0.05325473669529 0.05392157983715 0.37830613061944 15.999 > 37 74 O 0.05325473669529 0.05392157983715 0.87830613061944 15.999 > 37 *75 O 0.81547725403994 0.54523978653655 0.34736789383644 15.999 > 38 76 O 0.81547725403994 0.54523978653655 0.84736789383644 15.999 > 38 77 O 0.94674526330471 0.55392157983715 0.12169386938056 15.999 > 39 78 O 0.94674526330471 0.55392157983715 0.62169386938056 15.999 > 39 79 O 0.18452274596005 0.45476021346345 0.15263210616356 15.999 > 40 80 O 0.18452274596005 0.45476021346345 0.65263210616356 15.999 > 40 81 O 0.31547725403994 0.54523978653655 0.40263210616356 15.999 > 41 82 O 0.31547725403994 0.54523978653655 0.90263210616356 15.999 > 41 *83 O 0.75482590387571 0.75000000000000 0.37469862575384 15.999 > 42 84 O 0.75482590387571 0.75000000000000 0.87469862575384 15.999 > 42 85 O 0.70107808296173 0.67087002276700 0.14876448826519 15.999 > 43 86 O 0.70107808296173 0.67087002276700 0.64876448826519 15.999 > 43 87 O 0.00870181849053 0.63506855594092 0.34504905897086 15.999 > 44 88 O 0.00870181849053 0.63506855594092 0.84504905897086 15.999 > 44 89 O 0.81547725403994 0.95476021346345 0.34736789383644 15.999 > 45 90 O 0.81547725403994 0.95476021346345 0.84736789383644 15.999 > 45 91 O 0.55325473669529 0.05392157983715 0.37169386938056 15.999 > 46 92 O 0.55325473669529 0.05392157983715 0.87169386938056 15.999 > 46 93 O 0.44674526330471 0.55392157983715 0.12830613061944 15.999 > 47 94 O 0.44674526330471 0.55392157983715 0.62830613061944 15.999 > 47 95 O 0.05325473669529 0.44607842016285 0.37830613061944 15.999 > 48 96 O 0.05325473669529 0.44607842016285 0.87830613061944 15.999 > 48 97 O 0.68452274596006 0.45476021346345 0.09736789383644 15.999 > 49 98 O 0.68452274596006 0.45476021346345 0.59736789383644 15.999 > 49 99 O 0.99129818150947 0.36493144405908 0.15495094102914 15.999 > 50 100 O 0.99129818150947 0.36493144405908 0.65495094102914 15.999 > 50 101 O 0.49129818150947 0.13506855594092 0.09504905897086 15.999 > 51 102 O 0.49129818150947 0.13506855594092 0.59504905897086 15.999 > 51 103 O 0.24517409612429 0.25000000000000 0.12530137424616 15.999 > 52 104 O 0.24517409612429 0.25000000000000 0.62530137424616 15.999 > 52 105 O 0.70107808296173 0.82912997723300 0.14876448826519 15.999 > 53 106 O 0.70107808296173 0.82912997723300 0.64876448826519 15.999 > 53 107 O 0.79892191703827 0.32912997723300 0.39876448826519 15.999 > 54 108 O 0.79892191703827 0.32912997723300 0.89876448826519 15.999 > 54 109 O 0.99129818150947 0.13506855594092 0.15495094102914 15.999 > 55 110 O 0.99129818150947 0.13506855594092 0.65495094102914 15.999 > 55 111 O 0.29892191703827 0.17087002276700 0.35123551173481 15.999 > 56 112 O 0.29892191703827 0.17087002276700 0.85123551173481 15.999 > 56 113 O 0.25482590387571 0.75000000000000 0.37530137424616 15.999 > 57 114 O 0.25482590387571 0.75000000000000 0.87530137424616 15.999 > 57 115 O 0.79892191703827 0.17087002276700 0.39876448826519 15.999 > 58 116 O 0.79892191703827 0.17087002276700 0.89876448826519 15.999 > 58 117 O 0.44674526330471 0.94607842016285 0.12830613061944 15.999 > 59 118 O 0.44674526330471 0.94607842016285 0.62830613061944 15.999 > 59 119 O 0.31547725403994 0.95476021346345 0.40263210616356 15.999 > 60 120 O 0.31547725403994 0.95476021346345 0.90263210616356 15.999 > 60 121 O 0.50870181849053 0.86493144405908 0.40495094102914 15.999 > 61 122 O 0.50870181849053 0.86493144405908 0.90495094102914 15.999 > 61 123 O 0.29892191703827 0.32912997723300 0.35123551173481 15.999 > 62 124 O 0.29892191703827 0.32912997723300 0.85123551173481 15.999 > 62 125 O 0.18452274596005 0.04523978653655 0.15263210616356 15.999 > 63 126 O 0.18452274596005 0.04523978653655 0.65263210616356 15.999 > 63 127 O 0.74517409612429 0.25000000000000 0.12469862575384 15.999 > 64 128 O 0.74517409612429 0.25000000000000 0.62469862575384 15.999 > 64 129 O 0.49129818150947 0.36493144405908 0.09504905897086 15.999 > 65 130 O 0.49129818150947 0.36493144405908 0.59504905897086 15.999 > 65 131 O 0.20107808296173 0.67087002276700 0.10123551173481 15.999 > 66 132 O 0.20107808296173 0.67087002276700 0.60123551173481 15.999 > 66 133 O 0.68452274596006 0.04523978653655 0.09736789383644 15.999 > 67 134 O 0.68452274596006 0.04523978653655 0.59736789383644 15.999 > 67 135 O 0.50870181849053 0.63506855594092 0.40495094102914 15.999 > 68 136 O 0.50870181849053 0.63506855594092 0.90495094102914 15.999 > 68 *137 F 0.05732451637232 0.25000000000000 0.40654418854289 18.998 > 69 138 F 0.05732451637232 0.25000000000000 0.90654418854289 18.998 > 69 139 F 0.94267548362768 0.75000000000000 0.09345581145711 18.998 > 70 140 F 0.94267548362768 0.75000000000000 0.59345581145711 18.998 > 70 141 F 0.55732451637232 0.25000000000000 0.34345581145711 18.998 > 71 142 F 0.55732451637232 0.25000000000000 0.84345581145711 18.998 > 71 143 F 0.44267548362768 0.75000000000000 0.15654418854289 18.998 > 72 144 F 0.44267548362768 0.75000000000000 0.65654418854289 18.998 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7745907 0.0000000 0.0000000 0.0000000 2.8295806 0.0000000 0.0000000 0.0000000 2.8959584 -------------------------- Born effective charges -------------------------- 1 Mg 2.1929034 -0.0608860 -0.0220390 -0.0837998 2.1002682 -0.0191542 0.0350869 0.0423195 2.0765302 2 Mg 1.8692053 0.2181492 0.0358443 0.2240736 2.0053286 0.0921939 0.0132770 -0.0700396 2.2181375 3 Mg 2.1929034 0.0608860 0.0220390 0.0837998 2.1002682 -0.0191542 -0.0350869 0.0423195 2.0765302 4 Mg 2.1929034 -0.0608860 0.0220390 -0.0837998 2.1002682 0.0191542 -0.0350869 -0.0423195 2.0765302 5 Mg 2.1323684 0.0000000 -0.0869108 0.0000000 2.0520370 -0.0000000 0.0693820 0.0000000 2.0341889 6 Mg 2.1929034 0.0608860 -0.0220390 0.0837998 2.1002682 0.0191542 0.0350869 -0.0423195 2.0765302 7 Mg 2.1929034 0.0608860 -0.0220390 0.0837998 2.1002682 0.0191542 0.0350869 -0.0423195 2.0765302 8 Mg 1.8692053 -0.2181492 -0.0358443 -0.2240736 2.0053286 0.0921939 -0.0132770 -0.0700396 2.2181375 9 Mg 2.1323684 0.0000000 -0.0869108 0.0000000 2.0520370 -0.0000000 0.0693820 0.0000000 2.0341889 10 Mg 1.8692053 0.2181492 -0.0358443 0.2240736 2.0053286 -0.0921939 -0.0132770 0.0700396 2.2181375 11 Mg 2.1929034 -0.0608860 0.0220390 -0.0837998 2.1002682 0.0191542 -0.0350869 -0.0423195 2.0765302 12 Mg 2.1323684 0.0000000 0.0869108 0.0000000 2.0520370 -0.0000000 -0.0693820 0.0000000 2.0341889 13 Mg 1.8692053 0.2181492 -0.0358443 0.2240736 2.0053286 -0.0921939 -0.0132770 0.0700396 2.2181375 14 Mg 1.8692053 -0.2181492 0.0358443 -0.2240736 2.0053286 -0.0921939 0.0132770 0.0700396 2.2181375 15 Mg 1.8692053 -0.2181492 -0.0358443 -0.2240736 2.0053286 0.0921939 -0.0132770 -0.0700396 2.2181375 16 Mg 1.8692053 -0.2181492 0.0358443 -0.2240736 2.0053286 -0.0921939 0.0132770 0.0700396 2.2181375 17 Mg 2.1929034 -0.0608860 -0.0220390 -0.0837998 2.1002682 -0.0191542 0.0350869 0.0423195 2.0765302 18 Mg 2.1929034 0.0608860 0.0220390 0.0837998 2.1002682 -0.0191542 -0.0350869 0.0423195 2.0765302 19 Mg 1.8692053 0.2181492 0.0358443 0.2240736 2.0053286 0.0921939 0.0132770 -0.0700396 2.2181375 20 Mg 2.1323684 0.0000000 0.0869108 0.0000000 2.0520370 -0.0000000 -0.0693820 0.0000000 2.0341889 21 B 2.0491232 0.4508095 0.2559644 0.4256409 1.6749766 -0.4029330 0.2517419 -0.3492199 2.4987139 22 B 2.0491232 -0.4508095 -0.2559644 -0.4256409 1.6749766 -0.4029330 -0.2517419 -0.3492199 2.4987139 23 B 0.9821687 0.0000000 0.3403857 0.0000000 2.5405569 -0.0000000 0.3585787 0.0000000 2.5503596 24 B 0.9821687 0.0000000 -0.3403857 0.0000000 2.5405569 -0.0000000 -0.3585787 0.0000000 2.5503596 25 B 2.0491232 -0.4508095 0.2559644 -0.4256409 1.6749766 0.4029330 0.2517419 0.3492199 2.4987139 26 B 2.0491232 0.4508095 -0.2559644 0.4256409 1.6749766 0.4029330 -0.2517419 0.3492199 2.4987139 27 B 0.9821687 0.0000000 -0.3403857 0.0000000 2.5405569 -0.0000000 -0.3585787 0.0000000 2.5503596 28 B 2.0491232 0.4508095 -0.2559644 0.4256409 1.6749766 0.4029330 -0.2517419 0.3492199 2.4987139 29 B 2.0491232 0.4508095 0.2559644 0.4256409 1.6749766 -0.4029330 0.2517419 -0.3492199 2.4987139 30 B 0.9821687 0.0000000 0.3403857 0.0000000 2.5405569 -0.0000000 0.3585787 0.0000000 2.5503596 31 B 2.0491232 -0.4508095 0.2559644 -0.4256409 1.6749766 0.4029330 0.2517419 0.3492199 2.4987139 32 B 2.0491232 -0.4508095 -0.2559644 -0.4256409 1.6749766 -0.4029330 -0.2517419 -0.3492199 2.4987139 33 O -1.3844295 -0.1579306 0.1152581 -0.1595593 -1.4951398 0.1853199 0.0852963 0.1383678 -2.4210613 34 O -1.6901633 0.3385026 -0.2094217 0.4739062 -1.7564614 0.2474156 -0.2351802 0.1847700 -1.6190552 35 O -1.3159610 0.0819147 0.0973595 0.0607674 -2.0896153 -0.2936648 0.0780103 -0.2593162 -1.6497653 36 O -1.3844295 0.1579306 -0.1152581 0.1595593 -1.4951398 0.1853199 -0.0852963 0.1383678 -2.4210613 37 O -1.3844295 -0.1579306 0.1152581 -0.1595593 -1.4951398 0.1853199 0.0852963 0.1383678 -2.4210613 38 O -2.0107394 -0.2862712 0.2946984 -0.1691110 -1.4429190 0.1560862 0.2912459 0.1711481 -1.6410736 39 O -1.3844295 0.1579306 0.1152581 0.1595593 -1.4951398 -0.1853199 0.0852963 -0.1383678 -2.4210613 40 O -2.0107394 -0.2862712 0.2946984 -0.1691110 -1.4429190 0.1560862 0.2912459 0.1711481 -1.6410736 41 O -2.0107394 -0.2862712 -0.2946984 -0.1691110 -1.4429190 -0.1560862 -0.2912459 -0.1711481 -1.6410736 42 O -1.2672914 0.0000000 -0.2443196 0.0000000 -1.4223698 -0.0000000 -0.1360824 0.0000000 -2.3984425 43 O -1.3159610 -0.0819147 -0.0973595 -0.0607674 -2.0896153 -0.2936648 -0.0780103 -0.2593162 -1.6497653 44 O -1.6901633 -0.3385026 -0.2094217 -0.4739062 -1.7564614 -0.2474156 -0.2351802 -0.1847700 -1.6190552 45 O -2.0107394 0.2862712 0.2946984 0.1691110 -1.4429190 -0.1560862 0.2912459 -0.1711481 -1.6410736 46 O -1.3844295 -0.1579306 -0.1152581 -0.1595593 -1.4951398 -0.1853199 -0.0852963 -0.1383678 -2.4210613 47 O -1.3844295 0.1579306 -0.1152581 0.1595593 -1.4951398 0.1853199 -0.0852963 0.1383678 -2.4210613 48 O -1.3844295 0.1579306 0.1152581 0.1595593 -1.4951398 -0.1853199 0.0852963 -0.1383678 -2.4210613 49 O -2.0107394 -0.2862712 -0.2946984 -0.1691110 -1.4429190 -0.1560862 -0.2912459 -0.1711481 -1.6410736 50 O -1.6901633 -0.3385026 -0.2094217 -0.4739062 -1.7564614 -0.2474156 -0.2351802 -0.1847700 -1.6190552 51 O -1.6901633 0.3385026 0.2094217 0.4739062 -1.7564614 -0.2474156 0.2351802 -0.1847700 -1.6190552 52 O -1.2672914 0.0000000 -0.2443196 0.0000000 -1.4223698 -0.0000000 -0.1360824 0.0000000 -2.3984425 53 O -1.3159610 0.0819147 -0.0973595 0.0607674 -2.0896153 0.2936648 -0.0780103 0.2593162 -1.6497653 54 O -1.3159610 -0.0819147 0.0973595 -0.0607674 -2.0896153 0.2936648 0.0780103 0.2593162 -1.6497653 55 O -1.6901633 0.3385026 -0.2094217 0.4739062 -1.7564614 0.2474156 -0.2351802 0.1847700 -1.6190552 56 O -1.3159610 0.0819147 -0.0973595 0.0607674 -2.0896153 0.2936648 -0.0780103 0.2593162 -1.6497653 57 O -1.2672914 0.0000000 0.2443196 0.0000000 -1.4223698 -0.0000000 0.1360824 0.0000000 -2.3984425 58 O -1.3159610 0.0819147 0.0973595 0.0607674 -2.0896153 -0.2936648 0.0780103 -0.2593162 -1.6497653 59 O -1.3844295 -0.1579306 -0.1152581 -0.1595593 -1.4951398 -0.1853199 -0.0852963 -0.1383678 -2.4210613 60 O -2.0107394 0.2862712 -0.2946984 0.1691110 -1.4429190 0.1560862 -0.2912459 0.1711481 -1.6410736 61 O -1.6901633 0.3385026 0.2094217 0.4739062 -1.7564614 -0.2474156 0.2351802 -0.1847700 -1.6190552 62 O -1.3159610 -0.0819147 -0.0973595 -0.0607674 -2.0896153 -0.2936648 -0.0780103 -0.2593162 -1.6497653 63 O -2.0107394 0.2862712 0.2946984 0.1691110 -1.4429190 -0.1560862 0.2912459 -0.1711481 -1.6410736 64 O -1.2672914 0.0000000 0.2443196 0.0000000 -1.4223698 -0.0000000 0.1360824 0.0000000 -2.3984425 65 O -1.6901633 -0.3385026 0.2094217 -0.4739062 -1.7564614 0.2474156 0.2351802 0.1847700 -1.6190552 66 O -1.3159610 -0.0819147 0.0973595 -0.0607674 -2.0896153 0.2936648 0.0780103 0.2593162 -1.6497653 67 O -2.0107394 0.2862712 -0.2946984 0.1691110 -1.4429190 0.1560862 -0.2912459 0.1711481 -1.6410736 68 O -1.6901633 -0.3385026 0.2094217 -0.4739062 -1.7564614 0.2474156 0.2351802 0.1847700 -1.6190552 69 F -1.2671231 0.0000000 -0.0891617 0.0000000 -1.1630999 -0.0000000 -0.0980431 0.0000000 -1.1109583 70 F -1.2671231 0.0000000 -0.0891617 0.0000000 -1.1630999 -0.0000000 -0.0980431 0.0000000 -1.1109583 71 F -1.2671231 0.0000000 0.0891617 0.0000000 -1.1630999 -0.0000000 0.0980431 0.0000000 -1.1109583 72 F -1.2671231 0.0000000 0.0891617 0.0000000 -1.1630999 -0.0000000 0.0980431 0.0000000 -1.1109583 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6026 Number of blocks in projector: 6026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1360 Use submatrix version of eigh solver. (1) Block: 500 / 1360 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1360 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1360 / 1360 (1) 340 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1232 / 1232 (1) 222 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1232 / 1232 (1) 220 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 734 Use submatrix version of eigh solver. (1) Block: 500 / 734 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 734 / 734 (1) 223 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 734 Use submatrix version of eigh solver. (1) Block: 500 / 734 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 734 / 734 (1) 223 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 734 Use submatrix version of eigh solver. (1) Block: 500 / 734 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 734 / 734 (1) 223 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6026, 5943), data: False |-- (734, 723), data: False |-- (734, 11), data: (734, 22) @ (22, 11) |-- (234, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (734, 723), data: False |-- (734, 11), data: (734, 22) @ (22, 11) |-- (234, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (734, 723), data: False |-- (734, 11), data: (734, 22) @ (22, 11) |-- (234, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1232, 1218), data: False |-- (1232, 26), data: (1232, 40) @ (40, 26) |-- (232, 220), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1232, 1218), data: False |-- (1232, 24), data: (1232, 38) @ (38, 24) |-- (232, 222), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1360, 1338), data: False |-- (1360, 42), data: (1360, 64) @ (64, 42) |-- (360, 340), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 228), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 1120 - Time: 3.058 Solver_block: 200 / 1120 - Time: 3.010 Solver_block: 300 / 1120 - Time: 2.998 Solver_block: 400 / 1120 - Time: 3.101 Solver_block: 500 / 1120 - Time: 3.007 Solver_block: 600 / 1120 - Time: 3.008 Solver_block: 700 / 1120 - Time: 3.038 Solver_block: 800 / 1120 - Time: 2.987 Solver_block: 900 / 1120 - Time: 3.135 Solver_block: 1000 / 1120 - Time: 2.980 Solver_block: 1100 / 1120 - Time: 3.080 Solver_block: 1120 / 1120 - Time: 0.934 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 35.059 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6026 Number of blocks in projector: 6026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1360 Use submatrix version of eigh solver. (1) Block: 500 / 1360 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1360 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1360 / 1360 (1) 340 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1232 / 1232 (1) 222 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1232 Use submatrix version of eigh solver. (1) Block: 500 / 1232 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1232 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1232 / 1232 (1) 220 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 734 Use submatrix version of eigh solver. (1) Block: 500 / 734 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 734 / 734 (1) 223 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 734 Use submatrix version of eigh solver. (1) Block: 500 / 734 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 734 / 734 (1) 223 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 734 Use submatrix version of eigh solver. (1) Block: 500 / 734 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 734 / 734 (1) 223 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6026, 5943), data: False |-- (734, 723), data: False |-- (734, 11), data: (734, 22) @ (22, 11) |-- (234, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (734, 723), data: False |-- (734, 11), data: (734, 22) @ (22, 11) |-- (234, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (734, 723), data: False |-- (734, 11), data: (734, 22) @ (22, 11) |-- (234, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1232, 1218), data: False |-- (1232, 26), data: (1232, 40) @ (40, 26) |-- (232, 220), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1232, 1218), data: False |-- (1232, 24), data: (1232, 38) @ (38, 24) |-- (232, 222), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1360, 1338), data: False |-- (1360, 42), data: (1360, 64) @ (64, 42) |-- (360, 340), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 228), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:24:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:24:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.538080020000000 Atomic positions (fractional): 1 Mg 0.86862319013882 0.05728502233954 0.00014834847178 24.305 2 Mg 0.34856699032910 0.85161845560386 0.51001035079122 24.305 3 Mg 0.63137680986118 0.55728502233954 0.50014834847178 24.305 4 Mg 0.63137680986118 0.94271497766046 0.50014834847178 24.305 5 Mg 0.08095654502472 0.75000000000000 0.49898591918369 24.305 6 Mg 0.86862319013882 0.44271497766046 0.00014834847178 24.305 7 Mg 0.13137680986118 0.55728502233954 0.99985165152822 24.305 8 Mg 0.84856699032910 0.64838154439614 0.98998964920878 24.305 9 Mg 0.91904345497528 0.25000000000000 0.50101408081631 24.305 10 Mg 0.84856699032910 0.85161845560386 0.98998964920878 24.305 11 Mg 0.36862319013882 0.05728502233954 0.49985165152822 24.305 12 Mg 0.41904345497528 0.25000000000000 0.99898591918369 24.305 13 Mg 0.15143300967090 0.14838154439614 0.01001035079122 24.305 14 Mg 0.34856699032910 0.64838154439614 0.51001035079122 24.305 15 Mg 0.15143300967090 0.35161845560386 0.01001035079122 24.305 16 Mg 0.65143300967090 0.35161845560386 0.48998964920878 24.305 17 Mg 0.13137680986118 0.94271497766046 0.99985165152822 24.305 18 Mg 0.36862319013882 0.44271497766046 0.49985165152822 24.305 19 Mg 0.65143300967090 0.14838154439614 0.48998964920878 24.305 20 Mg 0.58095654502472 0.75000000000000 0.00101408081631 24.305 21 B 0.42655063315730 0.57537406740022 0.96353435622237 10.811 22 B 0.07344936684270 0.07537406740022 0.46353435622237 10.811 23 B 0.72341772345509 0.75000000000000 0.45381946884659 10.811 24 B 0.77658227654491 0.25000000000000 0.95381946884659 10.811 25 B 0.57344936684270 0.07537406740022 0.03646564377763 10.811 26 B 0.92655063315730 0.57537406740022 0.53646564377763 10.811 27 B 0.22341772345509 0.75000000000000 0.04618053115341 10.811 28 B 0.07344936684270 0.42462593259978 0.46353435622237 10.811 29 B 0.57344936684270 0.42462593259978 0.03646564377763 10.811 30 B 0.27658227654491 0.25000000000000 0.54618053115341 10.811 31 B 0.42655063315730 0.92462593259978 0.96353435622237 10.811 32 B 0.92655063315730 0.92462593259978 0.53646564377763 10.811 33 O 0.94674526330471 0.94607842016285 0.24338773876112 15.999 34 O 0.00870181849053 0.86493144405908 0.69009811794172 15.999 35 O 0.20107808296173 0.82912997723300 0.20247102346962 15.999 36 O 0.55325473669529 0.44607842016285 0.74338773876112 15.999 37 O 0.05325473669529 0.05392157983715 0.75661226123888 15.999 38 O 0.81547725403994 0.54523978653655 0.69473578767288 15.999 39 O 0.94674526330471 0.55392157983715 0.24338773876112 15.999 40 O 0.18452274596005 0.45476021346345 0.30526421232712 15.999 41 O 0.31547725403994 0.54523978653655 0.80526421232712 15.999 42 O 0.75482590387571 0.75000000000000 0.74939725150767 15.999 43 O 0.70107808296173 0.67087002276700 0.29752897653038 15.999 44 O 0.00870181849053 0.63506855594092 0.69009811794172 15.999 45 O 0.81547725403994 0.95476021346345 0.69473578767288 15.999 46 O 0.55325473669529 0.05392157983715 0.74338773876112 15.999 47 O 0.44674526330471 0.55392157983715 0.25661226123888 15.999 48 O 0.05325473669529 0.44607842016285 0.75661226123888 15.999 49 O 0.68452274596006 0.45476021346345 0.19473578767288 15.999 50 O 0.99129818150947 0.36493144405908 0.30990188205828 15.999 51 O 0.49129818150947 0.13506855594092 0.19009811794172 15.999 52 O 0.24517409612429 0.25000000000000 0.25060274849233 15.999 53 O 0.70107808296173 0.82912997723300 0.29752897653038 15.999 54 O 0.79892191703827 0.32912997723300 0.79752897653038 15.999 55 O 0.99129818150947 0.13506855594092 0.30990188205828 15.999 56 O 0.29892191703827 0.17087002276700 0.70247102346962 15.999 57 O 0.25482590387571 0.75000000000000 0.75060274849233 15.999 58 O 0.79892191703827 0.17087002276700 0.79752897653038 15.999 59 O 0.44674526330471 0.94607842016285 0.25661226123888 15.999 60 O 0.31547725403994 0.95476021346345 0.80526421232712 15.999 61 O 0.50870181849053 0.86493144405908 0.80990188205828 15.999 62 O 0.29892191703827 0.32912997723300 0.70247102346962 15.999 63 O 0.18452274596005 0.04523978653655 0.30526421232712 15.999 64 O 0.74517409612429 0.25000000000000 0.24939725150767 15.999 65 O 0.49129818150947 0.36493144405908 0.19009811794172 15.999 66 O 0.20107808296173 0.67087002276700 0.20247102346962 15.999 67 O 0.68452274596006 0.04523978653655 0.19473578767288 15.999 68 O 0.50870181849053 0.63506855594092 0.80990188205828 15.999 69 F 0.05732451637232 0.25000000000000 0.81308837708577 18.998 70 F 0.94267548362768 0.75000000000000 0.18691162291423 18.998 71 F 0.55732451637232 0.25000000000000 0.68691162291423 18.998 72 F 0.44267548362768 0.75000000000000 0.31308837708577 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.076160040000000 Atomic positions (fractional): 1 Mg 0.86862319013882 0.05728502233954 0.00007417423589 24.305 > 1 2 Mg 0.86862319013882 0.05728502233954 0.50007417423589 24.305 > 1 3 Mg 0.34856699032910 0.85161845560386 0.25500517539561 24.305 > 3 4 Mg 0.34856699032910 0.85161845560386 0.75500517539561 24.305 > 3 5 Mg 0.63137680986118 0.55728502233954 0.25007417423589 24.305 > 5 6 Mg 0.63137680986118 0.55728502233954 0.75007417423589 24.305 > 5 7 Mg 0.63137680986118 0.94271497766046 0.25007417423589 24.305 > 7 8 Mg 0.63137680986118 0.94271497766046 0.75007417423589 24.305 > 7 9 Mg 0.08095654502472 0.75000000000000 0.24949295959185 24.305 > 9 10 Mg 0.08095654502472 0.75000000000000 0.74949295959185 24.305 > 9 11 Mg 0.86862319013882 0.44271497766046 0.00007417423589 24.305 > 11 12 Mg 0.86862319013882 0.44271497766046 0.50007417423589 24.305 > 11 13 Mg 0.13137680986118 0.55728502233954 0.49992582576411 24.305 > 13 14 Mg 0.13137680986118 0.55728502233954 0.99992582576411 24.305 > 13 15 Mg 0.84856699032910 0.64838154439614 0.49499482460439 24.305 > 15 16 Mg 0.84856699032910 0.64838154439614 0.99499482460439 24.305 > 15 17 Mg 0.91904345497528 0.25000000000000 0.25050704040815 24.305 > 17 18 Mg 0.91904345497528 0.25000000000000 0.75050704040815 24.305 > 17 19 Mg 0.84856699032910 0.85161845560386 0.49499482460439 24.305 > 19 20 Mg 0.84856699032910 0.85161845560386 0.99499482460439 24.305 > 19 21 Mg 0.36862319013882 0.05728502233954 0.24992582576411 24.305 > 21 22 Mg 0.36862319013882 0.05728502233954 0.74992582576411 24.305 > 21 23 Mg 0.41904345497528 0.25000000000000 0.49949295959185 24.305 > 23 24 Mg 0.41904345497528 0.25000000000000 0.99949295959185 24.305 > 23 25 Mg 0.15143300967090 0.14838154439614 0.00500517539561 24.305 > 25 26 Mg 0.15143300967090 0.14838154439614 0.50500517539561 24.305 > 25 27 Mg 0.34856699032910 0.64838154439614 0.25500517539561 24.305 > 27 28 Mg 0.34856699032910 0.64838154439614 0.75500517539561 24.305 > 27 29 Mg 0.15143300967090 0.35161845560386 0.00500517539561 24.305 > 29 30 Mg 0.15143300967090 0.35161845560386 0.50500517539561 24.305 > 29 31 Mg 0.65143300967090 0.35161845560386 0.24499482460439 24.305 > 31 32 Mg 0.65143300967090 0.35161845560386 0.74499482460439 24.305 > 31 33 Mg 0.13137680986118 0.94271497766046 0.49992582576411 24.305 > 33 34 Mg 0.13137680986118 0.94271497766046 0.99992582576411 24.305 > 33 35 Mg 0.36862319013882 0.44271497766046 0.24992582576411 24.305 > 35 36 Mg 0.36862319013882 0.44271497766046 0.74992582576411 24.305 > 35 37 Mg 0.65143300967090 0.14838154439614 0.24499482460439 24.305 > 37 38 Mg 0.65143300967090 0.14838154439614 0.74499482460439 24.305 > 37 39 Mg 0.58095654502472 0.75000000000000 0.00050704040815 24.305 > 39 40 Mg 0.58095654502472 0.75000000000000 0.50050704040815 24.305 > 39 41 B 0.42655063315730 0.57537406740022 0.48176717811118 10.811 > 41 42 B 0.42655063315730 0.57537406740022 0.98176717811118 10.811 > 41 43 B 0.07344936684270 0.07537406740022 0.23176717811118 10.811 > 43 44 B 0.07344936684270 0.07537406740022 0.73176717811118 10.811 > 43 45 B 0.72341772345509 0.75000000000000 0.22690973442330 10.811 > 45 46 B 0.72341772345509 0.75000000000000 0.72690973442330 10.811 > 45 47 B 0.77658227654491 0.25000000000000 0.47690973442330 10.811 > 47 48 B 0.77658227654491 0.25000000000000 0.97690973442330 10.811 > 47 49 B 0.57344936684270 0.07537406740022 0.01823282188882 10.811 > 49 50 B 0.57344936684270 0.07537406740022 0.51823282188882 10.811 > 49 51 B 0.92655063315730 0.57537406740022 0.26823282188882 10.811 > 51 52 B 0.92655063315730 0.57537406740022 0.76823282188882 10.811 > 51 53 B 0.22341772345509 0.75000000000000 0.02309026557670 10.811 > 53 54 B 0.22341772345509 0.75000000000000 0.52309026557670 10.811 > 53 55 B 0.07344936684270 0.42462593259978 0.23176717811118 10.811 > 55 56 B 0.07344936684270 0.42462593259978 0.73176717811118 10.811 > 55 57 B 0.57344936684270 0.42462593259978 0.01823282188882 10.811 > 57 58 B 0.57344936684270 0.42462593259978 0.51823282188882 10.811 > 57 59 B 0.27658227654491 0.25000000000000 0.27309026557670 10.811 > 59 60 B 0.27658227654491 0.25000000000000 0.77309026557670 10.811 > 59 61 B 0.42655063315730 0.92462593259978 0.48176717811118 10.811 > 61 62 B 0.42655063315730 0.92462593259978 0.98176717811118 10.811 > 61 63 B 0.92655063315730 0.92462593259978 0.26823282188882 10.811 > 63 64 B 0.92655063315730 0.92462593259978 0.76823282188882 10.811 > 63 65 O 0.94674526330471 0.94607842016285 0.12169386938056 15.999 > 65 66 O 0.94674526330471 0.94607842016285 0.62169386938056 15.999 > 65 67 O 0.00870181849053 0.86493144405908 0.34504905897086 15.999 > 67 68 O 0.00870181849053 0.86493144405908 0.84504905897086 15.999 > 67 69 O 0.20107808296173 0.82912997723300 0.10123551173481 15.999 > 69 70 O 0.20107808296173 0.82912997723300 0.60123551173481 15.999 > 69 71 O 0.55325473669529 0.44607842016285 0.37169386938056 15.999 > 71 72 O 0.55325473669529 0.44607842016285 0.87169386938056 15.999 > 71 73 O 0.05325473669529 0.05392157983715 0.37830613061944 15.999 > 73 74 O 0.05325473669529 0.05392157983715 0.87830613061944 15.999 > 73 75 O 0.81547725403994 0.54523978653655 0.34736789383644 15.999 > 75 76 O 0.81547725403994 0.54523978653655 0.84736789383644 15.999 > 75 77 O 0.94674526330471 0.55392157983715 0.12169386938056 15.999 > 77 78 O 0.94674526330471 0.55392157983715 0.62169386938056 15.999 > 77 79 O 0.18452274596005 0.45476021346345 0.15263210616356 15.999 > 79 80 O 0.18452274596005 0.45476021346345 0.65263210616356 15.999 > 79 81 O 0.31547725403994 0.54523978653655 0.40263210616356 15.999 > 81 82 O 0.31547725403994 0.54523978653655 0.90263210616356 15.999 > 81 83 O 0.75482590387571 0.75000000000000 0.37469862575384 15.999 > 83 84 O 0.75482590387571 0.75000000000000 0.87469862575384 15.999 > 83 85 O 0.70107808296173 0.67087002276700 0.14876448826519 15.999 > 85 86 O 0.70107808296173 0.67087002276700 0.64876448826519 15.999 > 85 87 O 0.00870181849053 0.63506855594092 0.34504905897086 15.999 > 87 88 O 0.00870181849053 0.63506855594092 0.84504905897086 15.999 > 87 89 O 0.81547725403994 0.95476021346345 0.34736789383644 15.999 > 89 90 O 0.81547725403994 0.95476021346345 0.84736789383644 15.999 > 89 91 O 0.55325473669529 0.05392157983715 0.37169386938056 15.999 > 91 92 O 0.55325473669529 0.05392157983715 0.87169386938056 15.999 > 91 93 O 0.44674526330471 0.55392157983715 0.12830613061944 15.999 > 93 94 O 0.44674526330471 0.55392157983715 0.62830613061944 15.999 > 93 95 O 0.05325473669529 0.44607842016285 0.37830613061944 15.999 > 95 96 O 0.05325473669529 0.44607842016285 0.87830613061944 15.999 > 95 97 O 0.68452274596006 0.45476021346345 0.09736789383644 15.999 > 97 98 O 0.68452274596006 0.45476021346345 0.59736789383644 15.999 > 97 99 O 0.99129818150947 0.36493144405908 0.15495094102914 15.999 > 99 100 O 0.99129818150947 0.36493144405908 0.65495094102914 15.999 > 99 101 O 0.49129818150947 0.13506855594092 0.09504905897086 15.999 > 101 102 O 0.49129818150947 0.13506855594092 0.59504905897086 15.999 > 101 103 O 0.24517409612429 0.25000000000000 0.12530137424616 15.999 > 103 104 O 0.24517409612429 0.25000000000000 0.62530137424616 15.999 > 103 105 O 0.70107808296173 0.82912997723300 0.14876448826519 15.999 > 105 106 O 0.70107808296173 0.82912997723300 0.64876448826519 15.999 > 105 107 O 0.79892191703827 0.32912997723300 0.39876448826519 15.999 > 107 108 O 0.79892191703827 0.32912997723300 0.89876448826519 15.999 > 107 109 O 0.99129818150947 0.13506855594092 0.15495094102914 15.999 > 109 110 O 0.99129818150947 0.13506855594092 0.65495094102914 15.999 > 109 111 O 0.29892191703827 0.17087002276700 0.35123551173481 15.999 > 111 112 O 0.29892191703827 0.17087002276700 0.85123551173481 15.999 > 111 113 O 0.25482590387571 0.75000000000000 0.37530137424616 15.999 > 113 114 O 0.25482590387571 0.75000000000000 0.87530137424616 15.999 > 113 115 O 0.79892191703827 0.17087002276700 0.39876448826519 15.999 > 115 116 O 0.79892191703827 0.17087002276700 0.89876448826519 15.999 > 115 117 O 0.44674526330471 0.94607842016285 0.12830613061944 15.999 > 117 118 O 0.44674526330471 0.94607842016285 0.62830613061944 15.999 > 117 119 O 0.31547725403994 0.95476021346345 0.40263210616356 15.999 > 119 120 O 0.31547725403994 0.95476021346345 0.90263210616356 15.999 > 119 121 O 0.50870181849053 0.86493144405908 0.40495094102914 15.999 > 121 122 O 0.50870181849053 0.86493144405908 0.90495094102914 15.999 > 121 123 O 0.29892191703827 0.32912997723300 0.35123551173481 15.999 > 123 124 O 0.29892191703827 0.32912997723300 0.85123551173481 15.999 > 123 125 O 0.18452274596005 0.04523978653655 0.15263210616356 15.999 > 125 126 O 0.18452274596005 0.04523978653655 0.65263210616356 15.999 > 125 127 O 0.74517409612429 0.25000000000000 0.12469862575384 15.999 > 127 128 O 0.74517409612429 0.25000000000000 0.62469862575384 15.999 > 127 129 O 0.49129818150947 0.36493144405908 0.09504905897086 15.999 > 129 130 O 0.49129818150947 0.36493144405908 0.59504905897086 15.999 > 129 131 O 0.20107808296173 0.67087002276700 0.10123551173481 15.999 > 131 132 O 0.20107808296173 0.67087002276700 0.60123551173481 15.999 > 131 133 O 0.68452274596006 0.04523978653655 0.09736789383644 15.999 > 133 134 O 0.68452274596006 0.04523978653655 0.59736789383644 15.999 > 133 135 O 0.50870181849053 0.63506855594092 0.40495094102914 15.999 > 135 136 O 0.50870181849053 0.63506855594092 0.90495094102914 15.999 > 135 137 F 0.05732451637232 0.25000000000000 0.40654418854289 18.998 > 137 138 F 0.05732451637232 0.25000000000000 0.90654418854289 18.998 > 137 139 F 0.94267548362768 0.75000000000000 0.09345581145711 18.998 > 139 140 F 0.94267548362768 0.75000000000000 0.59345581145711 18.998 > 139 141 F 0.55732451637232 0.25000000000000 0.34345581145711 18.998 > 141 142 F 0.55732451637232 0.25000000000000 0.84345581145711 18.998 > 141 143 F 0.44267548362768 0.75000000000000 0.15654418854289 18.998 > 143 144 F 0.44267548362768 0.75000000000000 0.65654418854289 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7745907 0.0000000 0.0000000 0.0000000 2.8295806 0.0000000 0.0000000 0.0000000 2.8959584 -------------------------- Born effective charges -------------------------- 1 Mg 2.1929034 -0.0608860 -0.0220390 -0.0837998 2.1002682 -0.0191542 0.0350869 0.0423195 2.0765302 2 Mg 1.8692053 0.2181492 0.0358443 0.2240736 2.0053286 0.0921939 0.0132770 -0.0700396 2.2181375 3 Mg 2.1929034 0.0608860 0.0220390 0.0837998 2.1002682 -0.0191542 -0.0350869 0.0423195 2.0765302 4 Mg 2.1929034 -0.0608860 0.0220390 -0.0837998 2.1002682 0.0191542 -0.0350869 -0.0423195 2.0765302 5 Mg 2.1323684 0.0000000 -0.0869108 0.0000000 2.0520370 -0.0000000 0.0693820 0.0000000 2.0341889 6 Mg 2.1929034 0.0608860 -0.0220390 0.0837998 2.1002682 0.0191542 0.0350869 -0.0423195 2.0765302 7 Mg 2.1929034 0.0608860 -0.0220390 0.0837998 2.1002682 0.0191542 0.0350869 -0.0423195 2.0765302 8 Mg 1.8692053 -0.2181492 -0.0358443 -0.2240736 2.0053286 0.0921939 -0.0132770 -0.0700396 2.2181375 9 Mg 2.1323684 0.0000000 -0.0869108 0.0000000 2.0520370 -0.0000000 0.0693820 0.0000000 2.0341889 10 Mg 1.8692053 0.2181492 -0.0358443 0.2240736 2.0053286 -0.0921939 -0.0132770 0.0700396 2.2181375 11 Mg 2.1929034 -0.0608860 0.0220390 -0.0837998 2.1002682 0.0191542 -0.0350869 -0.0423195 2.0765302 12 Mg 2.1323684 0.0000000 0.0869108 0.0000000 2.0520370 -0.0000000 -0.0693820 0.0000000 2.0341889 13 Mg 1.8692053 0.2181492 -0.0358443 0.2240736 2.0053286 -0.0921939 -0.0132770 0.0700396 2.2181375 14 Mg 1.8692053 -0.2181492 0.0358443 -0.2240736 2.0053286 -0.0921939 0.0132770 0.0700396 2.2181375 15 Mg 1.8692053 -0.2181492 -0.0358443 -0.2240736 2.0053286 0.0921939 -0.0132770 -0.0700396 2.2181375 16 Mg 1.8692053 -0.2181492 0.0358443 -0.2240736 2.0053286 -0.0921939 0.0132770 0.0700396 2.2181375 17 Mg 2.1929034 -0.0608860 -0.0220390 -0.0837998 2.1002682 -0.0191542 0.0350869 0.0423195 2.0765302 18 Mg 2.1929034 0.0608860 0.0220390 0.0837998 2.1002682 -0.0191542 -0.0350869 0.0423195 2.0765302 19 Mg 1.8692053 0.2181492 0.0358443 0.2240736 2.0053286 0.0921939 0.0132770 -0.0700396 2.2181375 20 Mg 2.1323684 0.0000000 0.0869108 0.0000000 2.0520370 -0.0000000 -0.0693820 0.0000000 2.0341889 21 B 2.0491232 0.4508095 0.2559644 0.4256409 1.6749766 -0.4029330 0.2517419 -0.3492199 2.4987139 22 B 2.0491232 -0.4508095 -0.2559644 -0.4256409 1.6749766 -0.4029330 -0.2517419 -0.3492199 2.4987139 23 B 0.9821687 0.0000000 0.3403857 0.0000000 2.5405569 -0.0000000 0.3585787 0.0000000 2.5503596 24 B 0.9821687 0.0000000 -0.3403857 0.0000000 2.5405569 -0.0000000 -0.3585787 0.0000000 2.5503596 25 B 2.0491232 -0.4508095 0.2559644 -0.4256409 1.6749766 0.4029330 0.2517419 0.3492199 2.4987139 26 B 2.0491232 0.4508095 -0.2559644 0.4256409 1.6749766 0.4029330 -0.2517419 0.3492199 2.4987139 27 B 0.9821687 0.0000000 -0.3403857 0.0000000 2.5405569 -0.0000000 -0.3585787 0.0000000 2.5503596 28 B 2.0491232 0.4508095 -0.2559644 0.4256409 1.6749766 0.4029330 -0.2517419 0.3492199 2.4987139 29 B 2.0491232 0.4508095 0.2559644 0.4256409 1.6749766 -0.4029330 0.2517419 -0.3492199 2.4987139 30 B 0.9821687 0.0000000 0.3403857 0.0000000 2.5405569 -0.0000000 0.3585787 0.0000000 2.5503596 31 B 2.0491232 -0.4508095 0.2559644 -0.4256409 1.6749766 0.4029330 0.2517419 0.3492199 2.4987139 32 B 2.0491232 -0.4508095 -0.2559644 -0.4256409 1.6749766 -0.4029330 -0.2517419 -0.3492199 2.4987139 33 O -1.3844295 -0.1579306 0.1152581 -0.1595593 -1.4951398 0.1853199 0.0852963 0.1383678 -2.4210613 34 O -1.6901633 0.3385026 -0.2094217 0.4739062 -1.7564614 0.2474156 -0.2351802 0.1847700 -1.6190552 35 O -1.3159610 0.0819147 0.0973595 0.0607674 -2.0896153 -0.2936648 0.0780103 -0.2593162 -1.6497653 36 O -1.3844295 0.1579306 -0.1152581 0.1595593 -1.4951398 0.1853199 -0.0852963 0.1383678 -2.4210613 37 O -1.3844295 -0.1579306 0.1152581 -0.1595593 -1.4951398 0.1853199 0.0852963 0.1383678 -2.4210613 38 O -2.0107394 -0.2862712 0.2946984 -0.1691110 -1.4429190 0.1560862 0.2912459 0.1711481 -1.6410736 39 O -1.3844295 0.1579306 0.1152581 0.1595593 -1.4951398 -0.1853199 0.0852963 -0.1383678 -2.4210613 40 O -2.0107394 -0.2862712 0.2946984 -0.1691110 -1.4429190 0.1560862 0.2912459 0.1711481 -1.6410736 41 O -2.0107394 -0.2862712 -0.2946984 -0.1691110 -1.4429190 -0.1560862 -0.2912459 -0.1711481 -1.6410736 42 O -1.2672914 0.0000000 -0.2443196 0.0000000 -1.4223698 -0.0000000 -0.1360824 0.0000000 -2.3984425 43 O -1.3159610 -0.0819147 -0.0973595 -0.0607674 -2.0896153 -0.2936648 -0.0780103 -0.2593162 -1.6497653 44 O -1.6901633 -0.3385026 -0.2094217 -0.4739062 -1.7564614 -0.2474156 -0.2351802 -0.1847700 -1.6190552 45 O -2.0107394 0.2862712 0.2946984 0.1691110 -1.4429190 -0.1560862 0.2912459 -0.1711481 -1.6410736 46 O -1.3844295 -0.1579306 -0.1152581 -0.1595593 -1.4951398 -0.1853199 -0.0852963 -0.1383678 -2.4210613 47 O -1.3844295 0.1579306 -0.1152581 0.1595593 -1.4951398 0.1853199 -0.0852963 0.1383678 -2.4210613 48 O -1.3844295 0.1579306 0.1152581 0.1595593 -1.4951398 -0.1853199 0.0852963 -0.1383678 -2.4210613 49 O -2.0107394 -0.2862712 -0.2946984 -0.1691110 -1.4429190 -0.1560862 -0.2912459 -0.1711481 -1.6410736 50 O -1.6901633 -0.3385026 -0.2094217 -0.4739062 -1.7564614 -0.2474156 -0.2351802 -0.1847700 -1.6190552 51 O -1.6901633 0.3385026 0.2094217 0.4739062 -1.7564614 -0.2474156 0.2351802 -0.1847700 -1.6190552 52 O -1.2672914 0.0000000 -0.2443196 0.0000000 -1.4223698 -0.0000000 -0.1360824 0.0000000 -2.3984425 53 O -1.3159610 0.0819147 -0.0973595 0.0607674 -2.0896153 0.2936648 -0.0780103 0.2593162 -1.6497653 54 O -1.3159610 -0.0819147 0.0973595 -0.0607674 -2.0896153 0.2936648 0.0780103 0.2593162 -1.6497653 55 O -1.6901633 0.3385026 -0.2094217 0.4739062 -1.7564614 0.2474156 -0.2351802 0.1847700 -1.6190552 56 O -1.3159610 0.0819147 -0.0973595 0.0607674 -2.0896153 0.2936648 -0.0780103 0.2593162 -1.6497653 57 O -1.2672914 0.0000000 0.2443196 0.0000000 -1.4223698 -0.0000000 0.1360824 0.0000000 -2.3984425 58 O -1.3159610 0.0819147 0.0973595 0.0607674 -2.0896153 -0.2936648 0.0780103 -0.2593162 -1.6497653 59 O -1.3844295 -0.1579306 -0.1152581 -0.1595593 -1.4951398 -0.1853199 -0.0852963 -0.1383678 -2.4210613 60 O -2.0107394 0.2862712 -0.2946984 0.1691110 -1.4429190 0.1560862 -0.2912459 0.1711481 -1.6410736 61 O -1.6901633 0.3385026 0.2094217 0.4739062 -1.7564614 -0.2474156 0.2351802 -0.1847700 -1.6190552 62 O -1.3159610 -0.0819147 -0.0973595 -0.0607674 -2.0896153 -0.2936648 -0.0780103 -0.2593162 -1.6497653 63 O -2.0107394 0.2862712 0.2946984 0.1691110 -1.4429190 -0.1560862 0.2912459 -0.1711481 -1.6410736 64 O -1.2672914 0.0000000 0.2443196 0.0000000 -1.4223698 -0.0000000 0.1360824 0.0000000 -2.3984425 65 O -1.6901633 -0.3385026 0.2094217 -0.4739062 -1.7564614 0.2474156 0.2351802 0.1847700 -1.6190552 66 O -1.3159610 -0.0819147 0.0973595 -0.0607674 -2.0896153 0.2936648 0.0780103 0.2593162 -1.6497653 67 O -2.0107394 0.2862712 -0.2946984 0.1691110 -1.4429190 0.1560862 -0.2912459 0.1711481 -1.6410736 68 O -1.6901633 -0.3385026 0.2094217 -0.4739062 -1.7564614 0.2474156 0.2351802 0.1847700 -1.6190552 69 F -1.2671231 0.0000000 -0.0891617 0.0000000 -1.1630999 -0.0000000 -0.0980431 0.0000000 -1.1109583 70 F -1.2671231 0.0000000 -0.0891617 0.0000000 -1.1630999 -0.0000000 -0.0980431 0.0000000 -1.1109583 71 F -1.2671231 0.0000000 0.0891617 0.0000000 -1.1630999 -0.0000000 0.0980431 0.0000000 -1.1109583 72 F -1.2671231 0.0000000 0.0891617 0.0000000 -1.1630999 -0.0000000 0.0980431 0.0000000 -1.1109583 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 137, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zxz) 0.00000001 (zxz) 0.00000001 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:26:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:26:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.538080020000000 Atomic positions (fractional): 1 Mg 0.86862319013882 0.05728502233954 0.00014834847178 24.305 2 Mg 0.34856699032910 0.85161845560386 0.51001035079122 24.305 3 Mg 0.63137680986118 0.55728502233954 0.50014834847178 24.305 4 Mg 0.63137680986118 0.94271497766046 0.50014834847178 24.305 5 Mg 0.08095654502472 0.75000000000000 0.49898591918369 24.305 6 Mg 0.86862319013882 0.44271497766046 0.00014834847178 24.305 7 Mg 0.13137680986118 0.55728502233954 0.99985165152822 24.305 8 Mg 0.84856699032910 0.64838154439614 0.98998964920878 24.305 9 Mg 0.91904345497528 0.25000000000000 0.50101408081631 24.305 10 Mg 0.84856699032910 0.85161845560386 0.98998964920878 24.305 11 Mg 0.36862319013882 0.05728502233954 0.49985165152822 24.305 12 Mg 0.41904345497528 0.25000000000000 0.99898591918369 24.305 13 Mg 0.15143300967090 0.14838154439614 0.01001035079122 24.305 14 Mg 0.34856699032910 0.64838154439614 0.51001035079122 24.305 15 Mg 0.15143300967090 0.35161845560386 0.01001035079122 24.305 16 Mg 0.65143300967090 0.35161845560386 0.48998964920878 24.305 17 Mg 0.13137680986118 0.94271497766046 0.99985165152822 24.305 18 Mg 0.36862319013882 0.44271497766046 0.49985165152822 24.305 19 Mg 0.65143300967090 0.14838154439614 0.48998964920878 24.305 20 Mg 0.58095654502472 0.75000000000000 0.00101408081631 24.305 21 B 0.42655063315730 0.57537406740022 0.96353435622237 10.811 22 B 0.07344936684270 0.07537406740022 0.46353435622237 10.811 23 B 0.72341772345509 0.75000000000000 0.45381946884659 10.811 24 B 0.77658227654491 0.25000000000000 0.95381946884659 10.811 25 B 0.57344936684270 0.07537406740022 0.03646564377763 10.811 26 B 0.92655063315730 0.57537406740022 0.53646564377763 10.811 27 B 0.22341772345509 0.75000000000000 0.04618053115341 10.811 28 B 0.07344936684270 0.42462593259978 0.46353435622237 10.811 29 B 0.57344936684270 0.42462593259978 0.03646564377763 10.811 30 B 0.27658227654491 0.25000000000000 0.54618053115341 10.811 31 B 0.42655063315730 0.92462593259978 0.96353435622237 10.811 32 B 0.92655063315730 0.92462593259978 0.53646564377763 10.811 33 O 0.94674526330471 0.94607842016285 0.24338773876112 15.999 34 O 0.00870181849053 0.86493144405908 0.69009811794172 15.999 35 O 0.20107808296173 0.82912997723300 0.20247102346962 15.999 36 O 0.55325473669529 0.44607842016285 0.74338773876112 15.999 37 O 0.05325473669529 0.05392157983715 0.75661226123888 15.999 38 O 0.81547725403994 0.54523978653655 0.69473578767288 15.999 39 O 0.94674526330471 0.55392157983715 0.24338773876112 15.999 40 O 0.18452274596005 0.45476021346345 0.30526421232712 15.999 41 O 0.31547725403994 0.54523978653655 0.80526421232712 15.999 42 O 0.75482590387571 0.75000000000000 0.74939725150767 15.999 43 O 0.70107808296173 0.67087002276700 0.29752897653038 15.999 44 O 0.00870181849053 0.63506855594092 0.69009811794172 15.999 45 O 0.81547725403994 0.95476021346345 0.69473578767288 15.999 46 O 0.55325473669529 0.05392157983715 0.74338773876112 15.999 47 O 0.44674526330471 0.55392157983715 0.25661226123888 15.999 48 O 0.05325473669529 0.44607842016285 0.75661226123888 15.999 49 O 0.68452274596006 0.45476021346345 0.19473578767288 15.999 50 O 0.99129818150947 0.36493144405908 0.30990188205828 15.999 51 O 0.49129818150947 0.13506855594092 0.19009811794172 15.999 52 O 0.24517409612429 0.25000000000000 0.25060274849233 15.999 53 O 0.70107808296173 0.82912997723300 0.29752897653038 15.999 54 O 0.79892191703827 0.32912997723300 0.79752897653038 15.999 55 O 0.99129818150947 0.13506855594092 0.30990188205828 15.999 56 O 0.29892191703827 0.17087002276700 0.70247102346962 15.999 57 O 0.25482590387571 0.75000000000000 0.75060274849233 15.999 58 O 0.79892191703827 0.17087002276700 0.79752897653038 15.999 59 O 0.44674526330471 0.94607842016285 0.25661226123888 15.999 60 O 0.31547725403994 0.95476021346345 0.80526421232712 15.999 61 O 0.50870181849053 0.86493144405908 0.80990188205828 15.999 62 O 0.29892191703827 0.32912997723300 0.70247102346962 15.999 63 O 0.18452274596005 0.04523978653655 0.30526421232712 15.999 64 O 0.74517409612429 0.25000000000000 0.24939725150767 15.999 65 O 0.49129818150947 0.36493144405908 0.19009811794172 15.999 66 O 0.20107808296173 0.67087002276700 0.20247102346962 15.999 67 O 0.68452274596006 0.04523978653655 0.19473578767288 15.999 68 O 0.50870181849053 0.63506855594092 0.80990188205828 15.999 69 F 0.05732451637232 0.25000000000000 0.81308837708577 18.998 70 F 0.94267548362768 0.75000000000000 0.18691162291423 18.998 71 F 0.55732451637232 0.25000000000000 0.68691162291423 18.998 72 F 0.44267548362768 0.75000000000000 0.31308837708577 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.058374470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.857193589999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.076160040000000 Atomic positions (fractional): 1 Mg 0.86862319013882 0.05728502233954 0.00007417423589 24.305 > 1 2 Mg 0.86862319013882 0.05728502233954 0.50007417423589 24.305 > 1 3 Mg 0.34856699032910 0.85161845560386 0.25500517539561 24.305 > 3 4 Mg 0.34856699032910 0.85161845560386 0.75500517539561 24.305 > 3 5 Mg 0.63137680986118 0.55728502233954 0.25007417423589 24.305 > 5 6 Mg 0.63137680986118 0.55728502233954 0.75007417423589 24.305 > 5 7 Mg 0.63137680986118 0.94271497766046 0.25007417423589 24.305 > 7 8 Mg 0.63137680986118 0.94271497766046 0.75007417423589 24.305 > 7 9 Mg 0.08095654502472 0.75000000000000 0.24949295959185 24.305 > 9 10 Mg 0.08095654502472 0.75000000000000 0.74949295959185 24.305 > 9 11 Mg 0.86862319013882 0.44271497766046 0.00007417423589 24.305 > 11 12 Mg 0.86862319013882 0.44271497766046 0.50007417423589 24.305 > 11 13 Mg 0.13137680986118 0.55728502233954 0.49992582576411 24.305 > 13 14 Mg 0.13137680986118 0.55728502233954 0.99992582576411 24.305 > 13 15 Mg 0.84856699032910 0.64838154439614 0.49499482460439 24.305 > 15 16 Mg 0.84856699032910 0.64838154439614 0.99499482460439 24.305 > 15 17 Mg 0.91904345497528 0.25000000000000 0.25050704040815 24.305 > 17 18 Mg 0.91904345497528 0.25000000000000 0.75050704040815 24.305 > 17 19 Mg 0.84856699032910 0.85161845560386 0.49499482460439 24.305 > 19 20 Mg 0.84856699032910 0.85161845560386 0.99499482460439 24.305 > 19 21 Mg 0.36862319013882 0.05728502233954 0.24992582576411 24.305 > 21 22 Mg 0.36862319013882 0.05728502233954 0.74992582576411 24.305 > 21 23 Mg 0.41904345497528 0.25000000000000 0.49949295959185 24.305 > 23 24 Mg 0.41904345497528 0.25000000000000 0.99949295959185 24.305 > 23 25 Mg 0.15143300967090 0.14838154439614 0.00500517539561 24.305 > 25 26 Mg 0.15143300967090 0.14838154439614 0.50500517539561 24.305 > 25 27 Mg 0.34856699032910 0.64838154439614 0.25500517539561 24.305 > 27 28 Mg 0.34856699032910 0.64838154439614 0.75500517539561 24.305 > 27 29 Mg 0.15143300967090 0.35161845560386 0.00500517539561 24.305 > 29 30 Mg 0.15143300967090 0.35161845560386 0.50500517539561 24.305 > 29 31 Mg 0.65143300967090 0.35161845560386 0.24499482460439 24.305 > 31 32 Mg 0.65143300967090 0.35161845560386 0.74499482460439 24.305 > 31 33 Mg 0.13137680986118 0.94271497766046 0.49992582576411 24.305 > 33 34 Mg 0.13137680986118 0.94271497766046 0.99992582576411 24.305 > 33 35 Mg 0.36862319013882 0.44271497766046 0.24992582576411 24.305 > 35 36 Mg 0.36862319013882 0.44271497766046 0.74992582576411 24.305 > 35 37 Mg 0.65143300967090 0.14838154439614 0.24499482460439 24.305 > 37 38 Mg 0.65143300967090 0.14838154439614 0.74499482460439 24.305 > 37 39 Mg 0.58095654502472 0.75000000000000 0.00050704040815 24.305 > 39 40 Mg 0.58095654502472 0.75000000000000 0.50050704040815 24.305 > 39 41 B 0.42655063315730 0.57537406740022 0.48176717811118 10.811 > 41 42 B 0.42655063315730 0.57537406740022 0.98176717811118 10.811 > 41 43 B 0.07344936684270 0.07537406740022 0.23176717811118 10.811 > 43 44 B 0.07344936684270 0.07537406740022 0.73176717811118 10.811 > 43 45 B 0.72341772345509 0.75000000000000 0.22690973442330 10.811 > 45 46 B 0.72341772345509 0.75000000000000 0.72690973442330 10.811 > 45 47 B 0.77658227654491 0.25000000000000 0.47690973442330 10.811 > 47 48 B 0.77658227654491 0.25000000000000 0.97690973442330 10.811 > 47 49 B 0.57344936684270 0.07537406740022 0.01823282188882 10.811 > 49 50 B 0.57344936684270 0.07537406740022 0.51823282188882 10.811 > 49 51 B 0.92655063315730 0.57537406740022 0.26823282188882 10.811 > 51 52 B 0.92655063315730 0.57537406740022 0.76823282188882 10.811 > 51 53 B 0.22341772345509 0.75000000000000 0.02309026557670 10.811 > 53 54 B 0.22341772345509 0.75000000000000 0.52309026557670 10.811 > 53 55 B 0.07344936684270 0.42462593259978 0.23176717811118 10.811 > 55 56 B 0.07344936684270 0.42462593259978 0.73176717811118 10.811 > 55 57 B 0.57344936684270 0.42462593259978 0.01823282188882 10.811 > 57 58 B 0.57344936684270 0.42462593259978 0.51823282188882 10.811 > 57 59 B 0.27658227654491 0.25000000000000 0.27309026557670 10.811 > 59 60 B 0.27658227654491 0.25000000000000 0.77309026557670 10.811 > 59 61 B 0.42655063315730 0.92462593259978 0.48176717811118 10.811 > 61 62 B 0.42655063315730 0.92462593259978 0.98176717811118 10.811 > 61 63 B 0.92655063315730 0.92462593259978 0.26823282188882 10.811 > 63 64 B 0.92655063315730 0.92462593259978 0.76823282188882 10.811 > 63 65 O 0.94674526330471 0.94607842016285 0.12169386938056 15.999 > 65 66 O 0.94674526330471 0.94607842016285 0.62169386938056 15.999 > 65 67 O 0.00870181849053 0.86493144405908 0.34504905897086 15.999 > 67 68 O 0.00870181849053 0.86493144405908 0.84504905897086 15.999 > 67 69 O 0.20107808296173 0.82912997723300 0.10123551173481 15.999 > 69 70 O 0.20107808296173 0.82912997723300 0.60123551173481 15.999 > 69 71 O 0.55325473669529 0.44607842016285 0.37169386938056 15.999 > 71 72 O 0.55325473669529 0.44607842016285 0.87169386938056 15.999 > 71 73 O 0.05325473669529 0.05392157983715 0.37830613061944 15.999 > 73 74 O 0.05325473669529 0.05392157983715 0.87830613061944 15.999 > 73 75 O 0.81547725403994 0.54523978653655 0.34736789383644 15.999 > 75 76 O 0.81547725403994 0.54523978653655 0.84736789383644 15.999 > 75 77 O 0.94674526330471 0.55392157983715 0.12169386938056 15.999 > 77 78 O 0.94674526330471 0.55392157983715 0.62169386938056 15.999 > 77 79 O 0.18452274596005 0.45476021346345 0.15263210616356 15.999 > 79 80 O 0.18452274596005 0.45476021346345 0.65263210616356 15.999 > 79 81 O 0.31547725403994 0.54523978653655 0.40263210616356 15.999 > 81 82 O 0.31547725403994 0.54523978653655 0.90263210616356 15.999 > 81 83 O 0.75482590387571 0.75000000000000 0.37469862575384 15.999 > 83 84 O 0.75482590387571 0.75000000000000 0.87469862575384 15.999 > 83 85 O 0.70107808296173 0.67087002276700 0.14876448826519 15.999 > 85 86 O 0.70107808296173 0.67087002276700 0.64876448826519 15.999 > 85 87 O 0.00870181849053 0.63506855594092 0.34504905897086 15.999 > 87 88 O 0.00870181849053 0.63506855594092 0.84504905897086 15.999 > 87 89 O 0.81547725403994 0.95476021346345 0.34736789383644 15.999 > 89 90 O 0.81547725403994 0.95476021346345 0.84736789383644 15.999 > 89 91 O 0.55325473669529 0.05392157983715 0.37169386938056 15.999 > 91 92 O 0.55325473669529 0.05392157983715 0.87169386938056 15.999 > 91 93 O 0.44674526330471 0.55392157983715 0.12830613061944 15.999 > 93 94 O 0.44674526330471 0.55392157983715 0.62830613061944 15.999 > 93 95 O 0.05325473669529 0.44607842016285 0.37830613061944 15.999 > 95 96 O 0.05325473669529 0.44607842016285 0.87830613061944 15.999 > 95 97 O 0.68452274596006 0.45476021346345 0.09736789383644 15.999 > 97 98 O 0.68452274596006 0.45476021346345 0.59736789383644 15.999 > 97 99 O 0.99129818150947 0.36493144405908 0.15495094102914 15.999 > 99 100 O 0.99129818150947 0.36493144405908 0.65495094102914 15.999 > 99 101 O 0.49129818150947 0.13506855594092 0.09504905897086 15.999 > 101 102 O 0.49129818150947 0.13506855594092 0.59504905897086 15.999 > 101 103 O 0.24517409612429 0.25000000000000 0.12530137424616 15.999 > 103 104 O 0.24517409612429 0.25000000000000 0.62530137424616 15.999 > 103 105 O 0.70107808296173 0.82912997723300 0.14876448826519 15.999 > 105 106 O 0.70107808296173 0.82912997723300 0.64876448826519 15.999 > 105 107 O 0.79892191703827 0.32912997723300 0.39876448826519 15.999 > 107 108 O 0.79892191703827 0.32912997723300 0.89876448826519 15.999 > 107 109 O 0.99129818150947 0.13506855594092 0.15495094102914 15.999 > 109 110 O 0.99129818150947 0.13506855594092 0.65495094102914 15.999 > 109 111 O 0.29892191703827 0.17087002276700 0.35123551173481 15.999 > 111 112 O 0.29892191703827 0.17087002276700 0.85123551173481 15.999 > 111 113 O 0.25482590387571 0.75000000000000 0.37530137424616 15.999 > 113 114 O 0.25482590387571 0.75000000000000 0.87530137424616 15.999 > 113 115 O 0.79892191703827 0.17087002276700 0.39876448826519 15.999 > 115 116 O 0.79892191703827 0.17087002276700 0.89876448826519 15.999 > 115 117 O 0.44674526330471 0.94607842016285 0.12830613061944 15.999 > 117 118 O 0.44674526330471 0.94607842016285 0.62830613061944 15.999 > 117 119 O 0.31547725403994 0.95476021346345 0.40263210616356 15.999 > 119 120 O 0.31547725403994 0.95476021346345 0.90263210616356 15.999 > 119 121 O 0.50870181849053 0.86493144405908 0.40495094102914 15.999 > 121 122 O 0.50870181849053 0.86493144405908 0.90495094102914 15.999 > 121 123 O 0.29892191703827 0.32912997723300 0.35123551173481 15.999 > 123 124 O 0.29892191703827 0.32912997723300 0.85123551173481 15.999 > 123 125 O 0.18452274596005 0.04523978653655 0.15263210616356 15.999 > 125 126 O 0.18452274596005 0.04523978653655 0.65263210616356 15.999 > 125 127 O 0.74517409612429 0.25000000000000 0.12469862575384 15.999 > 127 128 O 0.74517409612429 0.25000000000000 0.62469862575384 15.999 > 127 129 O 0.49129818150947 0.36493144405908 0.09504905897086 15.999 > 129 130 O 0.49129818150947 0.36493144405908 0.59504905897086 15.999 > 129 131 O 0.20107808296173 0.67087002276700 0.10123551173481 15.999 > 131 132 O 0.20107808296173 0.67087002276700 0.60123551173481 15.999 > 131 133 O 0.68452274596006 0.04523978653655 0.09736789383644 15.999 > 133 134 O 0.68452274596006 0.04523978653655 0.59736789383644 15.999 > 133 135 O 0.50870181849053 0.63506855594092 0.40495094102914 15.999 > 135 136 O 0.50870181849053 0.63506855594092 0.90495094102914 15.999 > 135 137 F 0.05732451637232 0.25000000000000 0.40654418854289 18.998 > 137 138 F 0.05732451637232 0.25000000000000 0.90654418854289 18.998 > 137 139 F 0.94267548362768 0.75000000000000 0.09345581145711 18.998 > 139 140 F 0.94267548362768 0.75000000000000 0.59345581145711 18.998 > 139 141 F 0.55732451637232 0.25000000000000 0.34345581145711 18.998 > 141 142 F 0.55732451637232 0.25000000000000 0.84345581145711 18.998 > 141 143 F 0.44267548362768 0.75000000000000 0.15654418854289 18.998 > 143 144 F 0.44267548362768 0.75000000000000 0.65654418854289 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7745907 0.0000000 0.0000000 0.0000000 2.8295806 0.0000000 0.0000000 0.0000000 2.8959584 -------------------------- Born effective charges -------------------------- 1 Mg 2.1929034 -0.0608860 -0.0220390 -0.0837998 2.1002682 -0.0191542 0.0350869 0.0423195 2.0765302 2 Mg 1.8692053 0.2181492 0.0358443 0.2240736 2.0053286 0.0921939 0.0132770 -0.0700396 2.2181375 3 Mg 2.1929034 0.0608860 0.0220390 0.0837998 2.1002682 -0.0191542 -0.0350869 0.0423195 2.0765302 4 Mg 2.1929034 -0.0608860 0.0220390 -0.0837998 2.1002682 0.0191542 -0.0350869 -0.0423195 2.0765302 5 Mg 2.1323684 0.0000000 -0.0869108 0.0000000 2.0520370 -0.0000000 0.0693820 0.0000000 2.0341889 6 Mg 2.1929034 0.0608860 -0.0220390 0.0837998 2.1002682 0.0191542 0.0350869 -0.0423195 2.0765302 7 Mg 2.1929034 0.0608860 -0.0220390 0.0837998 2.1002682 0.0191542 0.0350869 -0.0423195 2.0765302 8 Mg 1.8692053 -0.2181492 -0.0358443 -0.2240736 2.0053286 0.0921939 -0.0132770 -0.0700396 2.2181375 9 Mg 2.1323684 0.0000000 -0.0869108 0.0000000 2.0520370 -0.0000000 0.0693820 0.0000000 2.0341889 10 Mg 1.8692053 0.2181492 -0.0358443 0.2240736 2.0053286 -0.0921939 -0.0132770 0.0700396 2.2181375 11 Mg 2.1929034 -0.0608860 0.0220390 -0.0837998 2.1002682 0.0191542 -0.0350869 -0.0423195 2.0765302 12 Mg 2.1323684 0.0000000 0.0869108 0.0000000 2.0520370 -0.0000000 -0.0693820 0.0000000 2.0341889 13 Mg 1.8692053 0.2181492 -0.0358443 0.2240736 2.0053286 -0.0921939 -0.0132770 0.0700396 2.2181375 14 Mg 1.8692053 -0.2181492 0.0358443 -0.2240736 2.0053286 -0.0921939 0.0132770 0.0700396 2.2181375 15 Mg 1.8692053 -0.2181492 -0.0358443 -0.2240736 2.0053286 0.0921939 -0.0132770 -0.0700396 2.2181375 16 Mg 1.8692053 -0.2181492 0.0358443 -0.2240736 2.0053286 -0.0921939 0.0132770 0.0700396 2.2181375 17 Mg 2.1929034 -0.0608860 -0.0220390 -0.0837998 2.1002682 -0.0191542 0.0350869 0.0423195 2.0765302 18 Mg 2.1929034 0.0608860 0.0220390 0.0837998 2.1002682 -0.0191542 -0.0350869 0.0423195 2.0765302 19 Mg 1.8692053 0.2181492 0.0358443 0.2240736 2.0053286 0.0921939 0.0132770 -0.0700396 2.2181375 20 Mg 2.1323684 0.0000000 0.0869108 0.0000000 2.0520370 -0.0000000 -0.0693820 0.0000000 2.0341889 21 B 2.0491232 0.4508095 0.2559644 0.4256409 1.6749766 -0.4029330 0.2517419 -0.3492199 2.4987139 22 B 2.0491232 -0.4508095 -0.2559644 -0.4256409 1.6749766 -0.4029330 -0.2517419 -0.3492199 2.4987139 23 B 0.9821687 0.0000000 0.3403857 0.0000000 2.5405569 -0.0000000 0.3585787 0.0000000 2.5503596 24 B 0.9821687 0.0000000 -0.3403857 0.0000000 2.5405569 -0.0000000 -0.3585787 0.0000000 2.5503596 25 B 2.0491232 -0.4508095 0.2559644 -0.4256409 1.6749766 0.4029330 0.2517419 0.3492199 2.4987139 26 B 2.0491232 0.4508095 -0.2559644 0.4256409 1.6749766 0.4029330 -0.2517419 0.3492199 2.4987139 27 B 0.9821687 0.0000000 -0.3403857 0.0000000 2.5405569 -0.0000000 -0.3585787 0.0000000 2.5503596 28 B 2.0491232 0.4508095 -0.2559644 0.4256409 1.6749766 0.4029330 -0.2517419 0.3492199 2.4987139 29 B 2.0491232 0.4508095 0.2559644 0.4256409 1.6749766 -0.4029330 0.2517419 -0.3492199 2.4987139 30 B 0.9821687 0.0000000 0.3403857 0.0000000 2.5405569 -0.0000000 0.3585787 0.0000000 2.5503596 31 B 2.0491232 -0.4508095 0.2559644 -0.4256409 1.6749766 0.4029330 0.2517419 0.3492199 2.4987139 32 B 2.0491232 -0.4508095 -0.2559644 -0.4256409 1.6749766 -0.4029330 -0.2517419 -0.3492199 2.4987139 33 O -1.3844295 -0.1579306 0.1152581 -0.1595593 -1.4951398 0.1853199 0.0852963 0.1383678 -2.4210613 34 O -1.6901633 0.3385026 -0.2094217 0.4739062 -1.7564614 0.2474156 -0.2351802 0.1847700 -1.6190552 35 O -1.3159610 0.0819147 0.0973595 0.0607674 -2.0896153 -0.2936648 0.0780103 -0.2593162 -1.6497653 36 O -1.3844295 0.1579306 -0.1152581 0.1595593 -1.4951398 0.1853199 -0.0852963 0.1383678 -2.4210613 37 O -1.3844295 -0.1579306 0.1152581 -0.1595593 -1.4951398 0.1853199 0.0852963 0.1383678 -2.4210613 38 O -2.0107394 -0.2862712 0.2946984 -0.1691110 -1.4429190 0.1560862 0.2912459 0.1711481 -1.6410736 39 O -1.3844295 0.1579306 0.1152581 0.1595593 -1.4951398 -0.1853199 0.0852963 -0.1383678 -2.4210613 40 O -2.0107394 -0.2862712 0.2946984 -0.1691110 -1.4429190 0.1560862 0.2912459 0.1711481 -1.6410736 41 O -2.0107394 -0.2862712 -0.2946984 -0.1691110 -1.4429190 -0.1560862 -0.2912459 -0.1711481 -1.6410736 42 O -1.2672914 0.0000000 -0.2443196 0.0000000 -1.4223698 -0.0000000 -0.1360824 0.0000000 -2.3984425 43 O -1.3159610 -0.0819147 -0.0973595 -0.0607674 -2.0896153 -0.2936648 -0.0780103 -0.2593162 -1.6497653 44 O -1.6901633 -0.3385026 -0.2094217 -0.4739062 -1.7564614 -0.2474156 -0.2351802 -0.1847700 -1.6190552 45 O -2.0107394 0.2862712 0.2946984 0.1691110 -1.4429190 -0.1560862 0.2912459 -0.1711481 -1.6410736 46 O -1.3844295 -0.1579306 -0.1152581 -0.1595593 -1.4951398 -0.1853199 -0.0852963 -0.1383678 -2.4210613 47 O -1.3844295 0.1579306 -0.1152581 0.1595593 -1.4951398 0.1853199 -0.0852963 0.1383678 -2.4210613 48 O -1.3844295 0.1579306 0.1152581 0.1595593 -1.4951398 -0.1853199 0.0852963 -0.1383678 -2.4210613 49 O -2.0107394 -0.2862712 -0.2946984 -0.1691110 -1.4429190 -0.1560862 -0.2912459 -0.1711481 -1.6410736 50 O -1.6901633 -0.3385026 -0.2094217 -0.4739062 -1.7564614 -0.2474156 -0.2351802 -0.1847700 -1.6190552 51 O -1.6901633 0.3385026 0.2094217 0.4739062 -1.7564614 -0.2474156 0.2351802 -0.1847700 -1.6190552 52 O -1.2672914 0.0000000 -0.2443196 0.0000000 -1.4223698 -0.0000000 -0.1360824 0.0000000 -2.3984425 53 O -1.3159610 0.0819147 -0.0973595 0.0607674 -2.0896153 0.2936648 -0.0780103 0.2593162 -1.6497653 54 O -1.3159610 -0.0819147 0.0973595 -0.0607674 -2.0896153 0.2936648 0.0780103 0.2593162 -1.6497653 55 O -1.6901633 0.3385026 -0.2094217 0.4739062 -1.7564614 0.2474156 -0.2351802 0.1847700 -1.6190552 56 O -1.3159610 0.0819147 -0.0973595 0.0607674 -2.0896153 0.2936648 -0.0780103 0.2593162 -1.6497653 57 O -1.2672914 0.0000000 0.2443196 0.0000000 -1.4223698 -0.0000000 0.1360824 0.0000000 -2.3984425 58 O -1.3159610 0.0819147 0.0973595 0.0607674 -2.0896153 -0.2936648 0.0780103 -0.2593162 -1.6497653 59 O -1.3844295 -0.1579306 -0.1152581 -0.1595593 -1.4951398 -0.1853199 -0.0852963 -0.1383678 -2.4210613 60 O -2.0107394 0.2862712 -0.2946984 0.1691110 -1.4429190 0.1560862 -0.2912459 0.1711481 -1.6410736 61 O -1.6901633 0.3385026 0.2094217 0.4739062 -1.7564614 -0.2474156 0.2351802 -0.1847700 -1.6190552 62 O -1.3159610 -0.0819147 -0.0973595 -0.0607674 -2.0896153 -0.2936648 -0.0780103 -0.2593162 -1.6497653 63 O -2.0107394 0.2862712 0.2946984 0.1691110 -1.4429190 -0.1560862 0.2912459 -0.1711481 -1.6410736 64 O -1.2672914 0.0000000 0.2443196 0.0000000 -1.4223698 -0.0000000 0.1360824 0.0000000 -2.3984425 65 O -1.6901633 -0.3385026 0.2094217 -0.4739062 -1.7564614 0.2474156 0.2351802 0.1847700 -1.6190552 66 O -1.3159610 -0.0819147 0.0973595 -0.0607674 -2.0896153 0.2936648 0.0780103 0.2593162 -1.6497653 67 O -2.0107394 0.2862712 -0.2946984 0.1691110 -1.4429190 0.1560862 -0.2912459 0.1711481 -1.6410736 68 O -1.6901633 -0.3385026 0.2094217 -0.4739062 -1.7564614 0.2474156 0.2351802 0.1847700 -1.6190552 69 F -1.2671231 0.0000000 -0.0891617 0.0000000 -1.1630999 -0.0000000 -0.0980431 0.0000000 -1.1109583 70 F -1.2671231 0.0000000 -0.0891617 0.0000000 -1.1630999 -0.0000000 -0.0980431 0.0000000 -1.1109583 71 F -1.2671231 0.0000000 0.0891617 0.0000000 -1.1630999 -0.0000000 0.0980431 0.0000000 -1.1109583 72 F -1.2671231 0.0000000 0.0891617 0.0000000 -1.1630999 -0.0000000 0.0980431 0.0000000 -1.1109583 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zxz) 0.00000001 (zxz) 0.00000001 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 3 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 10.811 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 10.961 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 11.917 ( 0.000 0.000 0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 12.113 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.271 ( 0.000 0.000 0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.315 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 13.008 ( 0.000 0.000 0.000) 0.000 13.035 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.122 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.364 ( 0.000 0.000 0.000) 0.000 13.383 ( 0.000 0.000 0.000) 0.000 13.603 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.415 ( 0.000 0.000 0.000) 0.000 14.596 ( 0.000 0.000 0.000) 0.000 14.672 ( 0.000 0.000 0.000) 0.000 14.756 ( 0.000 0.000 0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 16.581 ( 0.000 0.000 0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 16.961 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.105 ( 0.000 0.000 0.000) 0.000 17.113 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.331 ( 0.000 0.000 0.000) 0.000 17.403 ( 0.000 0.000 0.000) 0.000 17.487 ( 0.000 0.000 0.000) 0.000 17.586 ( 0.000 0.000 0.000) 0.000 19.288 ( 0.000 0.000 0.000) 0.000 19.396 ( 0.000 0.000 0.000) 0.000 19.501 ( 0.000 0.000 0.000) 0.000 19.518 ( 0.000 0.000 0.000) 0.000 19.805 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 19.873 ( 0.000 0.000 0.000) 0.000 19.898 ( 0.000 0.000 0.000) 0.000 19.976 ( 0.000 0.000 0.000) 0.000 20.062 ( 0.000 0.000 0.000) 0.000 20.089 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 20.528 ( 0.000 0.000 0.000) 0.000 20.611 ( 0.000 0.000 0.000) 0.000 20.746 ( 0.000 0.000 0.000) 0.000 21.240 ( 0.000 0.000 0.000) 0.000 21.300 ( 0.000 0.000 0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 21.983 ( 0.000 0.000 0.000) 0.000 21.994 ( 0.000 0.000 0.000) 0.000 22.011 ( 0.000 0.000 0.000) 0.000 22.130 ( 0.000 0.000 0.000) 0.000 22.344 ( 0.000 0.000 0.000) 0.000 22.450 ( 0.000 0.000 0.000) 0.000 26.425 ( 0.000 0.000 0.000) 0.000 26.430 ( 0.000 0.000 0.000) 0.000 26.448 ( 0.000 0.000 0.000) 0.000 26.456 ( 0.000 0.000 0.000) 0.000 26.758 ( 0.000 0.000 0.000) 0.000 26.764 ( 0.000 0.000 0.000) 0.000 26.906 ( 0.000 0.000 0.000) 0.000 26.916 ( 0.000 0.000 0.000) 0.000 27.424 ( 0.000 0.000 0.000) 0.000 27.429 ( 0.000 0.000 0.000) 0.000 27.457 ( 0.000 0.000 0.000) 0.000 27.462 ( 0.000 0.000 0.000) 0.000 34.732 ( 0.000 0.000 0.000) 0.000 34.832 ( 0.000 0.000 0.000) 0.000 35.358 ( 0.000 0.000 0.000) 0.000 35.506 ( 0.000 0.000 0.000) 0.000 35.868 ( 0.000 0.000 0.000) 0.000 35.894 ( 0.000 0.000 0.000) 0.000 35.897 ( 0.000 0.000 0.000) 0.000 37.171 ( 0.000 0.000 0.000) 0.000 37.180 ( 0.000 0.000 0.000) 0.000 37.561 ( 0.000 0.000 0.000) 0.000 37.568 ( 0.000 0.000 0.000) 0.000 37.596 ( 0.000 0.000 0.000) 0.000 37.644 ( 0.000 0.000 0.000) 0.000 37.777 ( 0.000 0.000 0.000) 0.000 37.855 ( 0.000 0.000 0.000) 0.000 37.982 ( 0.000 0.000 0.000) 0.000 38.013 ( 0.000 0.000 0.000) 0.000 38.061 ( 0.000 0.000 0.000) 0.000 38.415 ( 0.000 0.000 0.000) 0.000 38.586 ( 0.000 0.000 0.000) 0.000 38.703 ( 0.000 0.000 0.000) 0.000 38.799 ( 0.000 0.000 0.000) 0.000 38.858 ( 0.000 0.000 0.000) 0.000 39.187 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 48.986 0.000 0.000) 48.986 0.981 ( 48.598 0.000 0.000) 48.598 1.584 ( 78.780 0.000 0.000) 78.780 3.247 ( 2.670 0.000 0.000) 2.670 3.295 ( 10.755 0.000 0.000) 10.755 3.357 ( 5.272 0.000 0.000) 5.272 3.452 ( -18.396 0.000 0.000) 18.396 3.707 ( -2.813 0.000 0.000) 2.813 3.735 ( -39.101 0.000 0.000) 39.101 4.290 ( -6.779 0.000 0.000) 6.779 4.456 ( -30.276 0.000 0.000) 30.276 4.501 ( -15.423 0.000 0.000) 15.423 4.843 ( -4.330 0.000 0.000) 4.330 4.916 ( -6.685 0.000 0.000) 6.685 5.019 ( -10.325 0.000 0.000) 10.325 5.441 ( 16.869 0.000 0.000) 16.869 5.498 ( -17.521 0.000 0.000) 17.521 5.556 ( 8.682 0.000 0.000) 8.682 5.672 ( 6.523 0.000 0.000) 6.523 5.688 ( 4.158 0.000 0.000) 4.158 5.896 ( 13.370 0.000 0.000) 13.370 5.941 ( -10.048 0.000 0.000) 10.048 5.945 ( 15.236 0.000 0.000) 15.236 6.120 ( 10.147 0.000 0.000) 10.147 6.213 ( 12.202 0.000 0.000) 12.202 6.267 ( 13.384 0.000 0.000) 13.384 6.342 ( -12.416 0.000 0.000) 12.416 6.488 ( -7.090 0.000 0.000) 7.090 6.565 ( -0.923 0.000 0.000) 0.923 6.724 ( 10.268 0.000 0.000) 10.268 6.733 ( 8.284 0.000 0.000) 8.284 6.859 ( -10.859 0.000 0.000) 10.859 6.878 ( -1.037 0.000 0.000) 1.037 7.005 ( 3.039 0.000 0.000) 3.039 7.094 ( -5.897 0.000 0.000) 5.897 7.236 ( -4.149 0.000 0.000) 4.149 7.251 ( 7.221 0.000 0.000) 7.221 7.340 ( 10.676 0.000 0.000) 10.676 7.473 ( 2.428 0.000 0.000) 2.428 7.488 ( -12.438 0.000 0.000) 12.438 7.562 ( 7.050 0.000 0.000) 7.050 7.622 ( -9.504 0.000 0.000) 9.504 7.632 ( -4.372 0.000 0.000) 4.372 7.757 ( 6.749 0.000 0.000) 6.749 7.921 ( 0.088 0.000 0.000) 0.088 7.923 ( -12.189 0.000 0.000) 12.189 7.962 ( -6.918 0.000 0.000) 6.918 7.989 ( -9.847 0.000 0.000) 9.847 8.076 ( -0.312 0.000 0.000) 0.312 8.094 ( 3.769 0.000 0.000) 3.769 8.258 ( 0.383 0.000 0.000) 0.383 8.292 ( 10.940 0.000 0.000) 10.940 8.294 ( -3.231 0.000 0.000) 3.231 8.327 ( 4.134 0.000 0.000) 4.134 8.348 ( 0.056 0.000 0.000) 0.056 8.380 ( -2.487 0.000 0.000) 2.487 8.500 ( 8.175 0.000 0.000) 8.175 8.712 ( -4.412 0.000 0.000) 4.412 8.839 ( 1.129 0.000 0.000) 1.129 8.859 ( 14.684 0.000 0.000) 14.684 8.951 ( -0.011 0.000 0.000) 0.011 9.048 ( -1.708 0.000 0.000) 1.708 9.121 ( -13.070 0.000 0.000) 13.070 9.256 ( -5.128 0.000 0.000) 5.128 9.328 ( -5.210 0.000 0.000) 5.210 9.369 ( -2.388 0.000 0.000) 2.388 9.399 ( 4.825 0.000 0.000) 4.825 9.454 ( 4.299 0.000 0.000) 4.299 9.544 ( 5.099 0.000 0.000) 5.099 9.587 ( -3.162 0.000 0.000) 3.162 9.659 ( 0.125 0.000 0.000) 0.125 9.672 ( -2.468 0.000 0.000) 2.468 9.782 ( -1.620 0.000 0.000) 1.620 9.850 ( -5.734 0.000 0.000) 5.734 9.894 ( 10.458 0.000 0.000) 10.458 9.957 ( 3.347 0.000 0.000) 3.347 10.082 ( 4.048 0.000 0.000) 4.048 10.110 ( -10.584 0.000 0.000) 10.584 10.204 ( -14.028 0.000 0.000) 14.028 10.234 ( -1.898 0.000 0.000) 1.898 10.253 ( -2.337 0.000 0.000) 2.337 10.272 ( -10.695 0.000 0.000) 10.695 10.399 ( 7.187 0.000 0.000) 7.187 10.547 ( 9.699 0.000 0.000) 9.699 10.584 ( 1.279 0.000 0.000) 1.279 10.623 ( 3.161 0.000 0.000) 3.161 10.644 ( -7.291 0.000 0.000) 7.291 10.672 ( 4.697 0.000 0.000) 4.697 10.694 ( -1.834 0.000 0.000) 1.834 10.707 ( -5.937 0.000 0.000) 5.937 10.757 ( -2.352 0.000 0.000) 2.352 10.813 ( 1.477 0.000 0.000) 1.477 10.887 ( 5.695 0.000 0.000) 5.695 10.919 ( -3.434 0.000 0.000) 3.434 10.945 ( -2.593 0.000 0.000) 2.593 10.953 ( 4.679 0.000 0.000) 4.679 10.969 ( 7.078 0.000 0.000) 7.078 11.064 ( -3.549 0.000 0.000) 3.549 11.084 ( 7.627 0.000 0.000) 7.627 11.145 ( 2.792 0.000 0.000) 2.792 11.221 ( 10.129 0.000 0.000) 10.129 11.295 ( -1.866 0.000 0.000) 1.866 11.325 ( 3.567 0.000 0.000) 3.567 11.340 ( 5.529 0.000 0.000) 5.529 11.485 ( 0.552 0.000 0.000) 0.552 11.552 ( 7.569 0.000 0.000) 7.569 11.560 ( -0.700 0.000 0.000) 0.700 11.726 ( -9.510 0.000 0.000) 9.510 11.749 ( -2.375 0.000 0.000) 2.375 11.803 ( -5.714 0.000 0.000) 5.714 11.809 ( 0.830 0.000 0.000) 0.830 12.040 ( 6.345 0.000 0.000) 6.345 12.169 ( -0.850 0.000 0.000) 0.850 12.207 ( 9.379 0.000 0.000) 9.379 12.234 ( -2.206 0.000 0.000) 2.206 12.267 ( 0.232 0.000 0.000) 0.232 12.298 ( 2.135 0.000 0.000) 2.135 12.342 ( 1.916 0.000 0.000) 1.916 12.373 ( 0.011 0.000 0.000) 0.011 12.454 ( 5.346 0.000 0.000) 5.346 12.550 ( 0.742 0.000 0.000) 0.742 12.734 ( -7.589 0.000 0.000) 7.589 12.788 ( -10.427 0.000 0.000) 10.427 12.873 ( -4.282 0.000 0.000) 4.282 13.060 ( -4.406 0.000 0.000) 4.406 13.134 ( 6.928 0.000 0.000) 6.928 13.157 ( 3.513 0.000 0.000) 3.513 13.273 ( -4.053 0.000 0.000) 4.053 13.324 ( 1.682 0.000 0.000) 1.682 13.408 ( 1.674 0.000 0.000) 1.674 13.540 ( -5.383 0.000 0.000) 5.383 13.597 ( -7.133 0.000 0.000) 7.133 13.870 ( 13.842 0.000 0.000) 13.842 14.160 ( 7.337 0.000 0.000) 7.337 14.294 ( -3.307 0.000 0.000) 3.307 14.454 ( 1.292 0.000 0.000) 1.292 14.470 ( 3.621 0.000 0.000) 3.621 14.647 ( -2.276 0.000 0.000) 2.276 14.736 ( -7.042 0.000 0.000) 7.042 14.747 ( -0.567 0.000 0.000) 0.567 14.923 ( -5.556 0.000 0.000) 5.556 15.112 ( -5.755 0.000 0.000) 5.755 15.241 ( 1.549 0.000 0.000) 1.549 15.264 ( 1.485 0.000 0.000) 1.485 16.428 ( 2.653 0.000 0.000) 2.653 16.614 ( 3.123 0.000 0.000) 3.123 16.779 ( -6.712 0.000 0.000) 6.712 16.909 ( -5.300 0.000 0.000) 5.300 17.033 ( 4.985 0.000 0.000) 4.985 17.133 ( 1.834 0.000 0.000) 1.834 17.179 ( 5.408 0.000 0.000) 5.408 17.280 ( -0.584 0.000 0.000) 0.584 17.349 ( 2.428 0.000 0.000) 2.428 17.432 ( -5.324 0.000 0.000) 5.324 17.463 ( -2.632 0.000 0.000) 2.632 17.560 ( -2.317 0.000 0.000) 2.317 19.299 ( 1.057 0.000 0.000) 1.057 19.387 ( -0.909 0.000 0.000) 0.909 19.517 ( -0.041 0.000 0.000) 0.041 19.535 ( -0.582 0.000 0.000) 0.582 19.822 ( 1.461 0.000 0.000) 1.461 19.865 ( 0.675 0.000 0.000) 0.675 19.879 ( 0.643 0.000 0.000) 0.643 19.910 ( 1.305 0.000 0.000) 1.305 19.962 ( -1.348 0.000 0.000) 1.348 20.050 ( -1.922 0.000 0.000) 1.922 20.108 ( 1.014 0.000 0.000) 1.014 20.152 ( -0.302 0.000 0.000) 0.302 20.554 ( 2.228 0.000 0.000) 2.228 20.617 ( 0.420 0.000 0.000) 0.420 20.778 ( 3.285 0.000 0.000) 3.285 21.216 ( -7.557 0.000 0.000) 7.557 21.868 ( 1.671 0.000 0.000) 1.671 21.885 ( 3.388 0.000 0.000) 3.388 21.985 ( -0.940 0.000 0.000) 0.940 22.021 ( 0.559 0.000 0.000) 0.559 22.151 ( 2.091 0.000 0.000) 2.091 22.325 ( -1.888 0.000 0.000) 1.888 22.462 ( 1.396 0.000 0.000) 1.396 22.699 ( -3.184 0.000 0.000) 3.184 26.427 ( 0.161 0.000 0.000) 0.161 26.436 ( 0.403 0.000 0.000) 0.403 26.455 ( -0.063 0.000 0.000) 0.063 26.457 ( -0.190 0.000 0.000) 0.190 26.779 ( 1.954 0.000 0.000) 1.954 26.780 ( 1.590 0.000 0.000) 1.590 26.897 ( -0.882 0.000 0.000) 0.882 26.906 ( -1.079 0.000 0.000) 1.079 27.422 ( -0.010 0.000 0.000) 0.010 27.436 ( 0.519 0.000 0.000) 0.519 27.456 ( -0.287 0.000 0.000) 0.287 27.458 ( -0.525 0.000 0.000) 0.525 34.756 ( 2.338 0.000 0.000) 2.338 34.845 ( 1.005 0.000 0.000) 1.005 35.358 ( 0.028 0.000 0.000) 0.028 35.468 ( -3.371 0.000 0.000) 3.371 35.860 ( -0.697 0.000 0.000) 0.697 35.877 ( -1.440 0.000 0.000) 1.440 37.170 ( -0.015 0.000 0.000) 0.015 37.182 ( 0.080 0.000 0.000) 0.080 37.470 ( -0.818 0.000 0.000) 0.818 37.548 ( -1.313 0.000 0.000) 1.313 37.609 ( 3.041 0.000 0.000) 3.041 37.612 ( 1.457 0.000 0.000) 1.457 37.655 ( 0.931 0.000 0.000) 0.931 37.744 ( -2.453 0.000 0.000) 2.453 37.959 ( -1.766 0.000 0.000) 1.766 38.030 ( -2.802 0.000 0.000) 2.802 38.031 ( 1.150 0.000 0.000) 1.150 38.097 ( -1.569 0.000 0.000) 1.569 38.465 ( 4.572 0.000 0.000) 4.572 38.618 ( 3.197 0.000 0.000) 3.197 38.759 ( 5.280 0.000 0.000) 5.280 38.794 ( -0.620 0.000 0.000) 0.620 38.815 ( -4.081 0.000 0.000) 4.081 39.261 ( -6.491 0.000 0.000) 6.491 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 45.471 0.000 0.000) 45.471 1.943 ( 48.023 0.000 0.000) 48.023 2.777 ( -40.355 0.000 0.000) 40.355 2.874 ( -43.541 0.000 0.000) 43.541 3.099 ( 66.579 0.000 0.000) 66.579 3.424 ( 19.420 0.000 0.000) 19.420 3.553 ( 9.279 0.000 0.000) 9.279 3.563 ( 15.588 0.000 0.000) 15.588 3.906 ( -4.162 0.000 0.000) 4.162 3.912 ( -17.229 0.000 0.000) 17.229 4.022 ( 2.807 0.000 0.000) 2.807 4.102 ( -21.487 0.000 0.000) 21.487 4.425 ( -23.681 0.000 0.000) 23.681 4.552 ( -64.326 0.000 0.000) 64.326 4.955 ( 1.030 0.000 0.000) 1.030 4.981 ( 0.222 0.000 0.000) 0.222 5.709 ( 10.933 0.000 0.000) 10.933 5.787 ( 6.170 0.000 0.000) 6.170 5.804 ( 12.891 0.000 0.000) 12.891 5.828 ( 5.140 0.000 0.000) 5.140 5.851 ( -3.624 0.000 0.000) 3.624 6.062 ( -13.669 0.000 0.000) 13.669 6.120 ( 9.948 0.000 0.000) 9.948 6.268 ( 12.174 0.000 0.000) 12.174 6.280 ( 6.969 0.000 0.000) 6.969 6.318 ( -9.613 0.000 0.000) 9.613 6.518 ( 11.038 0.000 0.000) 11.038 6.557 ( 15.342 0.000 0.000) 15.342 6.654 ( 3.083 0.000 0.000) 3.083 6.694 ( -7.025 0.000 0.000) 7.025 6.878 ( 0.165 0.000 0.000) 0.165 6.903 ( 12.446 0.000 0.000) 12.446 6.915 ( -9.221 0.000 0.000) 9.221 7.036 ( 11.046 0.000 0.000) 11.046 7.123 ( 3.828 0.000 0.000) 3.828 7.201 ( -1.765 0.000 0.000) 1.765 7.212 ( 3.536 0.000 0.000) 3.536 7.276 ( -19.819 0.000 0.000) 19.819 7.364 ( -4.689 0.000 0.000) 4.689 7.408 ( -12.111 0.000 0.000) 12.111 7.515 ( 1.191 0.000 0.000) 1.191 7.534 ( 1.475 0.000 0.000) 1.475 7.717 ( -4.445 0.000 0.000) 4.445 7.773 ( 6.994 0.000 0.000) 6.994 7.781 ( -6.995 0.000 0.000) 6.995 7.811 ( -1.123 0.000 0.000) 1.123 7.874 ( -3.051 0.000 0.000) 3.051 7.876 ( -0.389 0.000 0.000) 0.389 8.160 ( 9.034 0.000 0.000) 9.034 8.210 ( -1.951 0.000 0.000) 1.951 8.220 ( 0.726 0.000 0.000) 0.726 8.262 ( -1.266 0.000 0.000) 1.266 8.330 ( 8.675 0.000 0.000) 8.675 8.383 ( 2.004 0.000 0.000) 2.004 8.401 ( 6.387 0.000 0.000) 6.387 8.417 ( 0.512 0.000 0.000) 0.512 8.578 ( -10.147 0.000 0.000) 10.147 8.700 ( -20.180 0.000 0.000) 20.180 8.724 ( 13.297 0.000 0.000) 13.297 8.858 ( 1.593 0.000 0.000) 1.593 8.921 ( -4.462 0.000 0.000) 4.462 8.974 ( -8.355 0.000 0.000) 8.355 9.136 ( -1.805 0.000 0.000) 1.805 9.207 ( -6.123 0.000 0.000) 6.123 9.276 ( 8.712 0.000 0.000) 8.712 9.434 ( -5.870 0.000 0.000) 5.870 9.446 ( 17.508 0.000 0.000) 17.508 9.536 ( 4.494 0.000 0.000) 4.494 9.559 ( -3.268 0.000 0.000) 3.268 9.582 ( 2.251 0.000 0.000) 2.251 9.625 ( 0.059 0.000 0.000) 0.059 9.658 ( 2.588 0.000 0.000) 2.588 9.732 ( -3.317 0.000 0.000) 3.317 9.858 ( -18.117 0.000 0.000) 18.117 9.858 ( 5.162 0.000 0.000) 5.162 9.976 ( -5.878 0.000 0.000) 5.878 10.006 ( 1.445 0.000 0.000) 1.445 10.021 ( 0.730 0.000 0.000) 0.730 10.147 ( -0.963 0.000 0.000) 0.963 10.176 ( -1.629 0.000 0.000) 1.629 10.200 ( 5.934 0.000 0.000) 5.934 10.290 ( 9.111 0.000 0.000) 9.111 10.401 ( -13.296 0.000 0.000) 13.296 10.506 ( -10.580 0.000 0.000) 10.580 10.568 ( 6.722 0.000 0.000) 6.722 10.604 ( 0.255 0.000 0.000) 0.255 10.612 ( -1.192 0.000 0.000) 1.192 10.679 ( -3.694 0.000 0.000) 3.694 10.720 ( 3.534 0.000 0.000) 3.534 10.755 ( -0.253 0.000 0.000) 0.253 10.853 ( 2.180 0.000 0.000) 2.180 10.853 ( 9.370 0.000 0.000) 9.370 10.894 ( -2.246 0.000 0.000) 2.246 10.917 ( 3.206 0.000 0.000) 3.206 10.987 ( 1.617 0.000 0.000) 1.617 11.028 ( 9.173 0.000 0.000) 9.173 11.089 ( 4.197 0.000 0.000) 4.197 11.119 ( -3.709 0.000 0.000) 3.709 11.136 ( 7.190 0.000 0.000) 7.190 11.189 ( 1.945 0.000 0.000) 1.945 11.227 ( -3.175 0.000 0.000) 3.175 11.386 ( -7.015 0.000 0.000) 7.015 11.399 ( 7.198 0.000 0.000) 7.198 11.418 ( 3.819 0.000 0.000) 3.819 11.480 ( -8.638 0.000 0.000) 8.638 11.489 ( -1.275 0.000 0.000) 1.275 11.552 ( 1.350 0.000 0.000) 1.350 11.623 ( -2.658 0.000 0.000) 2.658 11.706 ( -1.513 0.000 0.000) 1.513 11.712 ( -2.654 0.000 0.000) 2.654 11.863 ( 6.994 0.000 0.000) 6.994 12.036 ( -8.991 0.000 0.000) 8.991 12.165 ( 5.820 0.000 0.000) 5.820 12.252 ( -2.520 0.000 0.000) 2.520 12.308 ( 6.349 0.000 0.000) 6.349 12.369 ( 1.612 0.000 0.000) 1.612 12.378 ( 0.179 0.000 0.000) 0.179 12.389 ( 4.116 0.000 0.000) 4.116 12.397 ( 6.844 0.000 0.000) 6.844 12.533 ( 0.506 0.000 0.000) 0.506 12.563 ( -7.828 0.000 0.000) 7.828 12.566 ( -8.996 0.000 0.000) 8.996 12.615 ( 7.423 0.000 0.000) 7.423 12.776 ( -7.267 0.000 0.000) 7.267 13.020 ( 3.219 0.000 0.000) 3.219 13.153 ( -7.758 0.000 0.000) 7.758 13.253 ( 6.544 0.000 0.000) 6.544 13.283 ( 7.369 0.000 0.000) 7.369 13.390 ( 3.213 0.000 0.000) 3.213 13.408 ( -8.138 0.000 0.000) 8.138 13.426 ( -0.273 0.000 0.000) 0.273 13.430 ( -7.925 0.000 0.000) 7.925 14.109 ( 8.922 0.000 0.000) 8.922 14.226 ( -3.875 0.000 0.000) 3.875 14.345 ( 10.570 0.000 0.000) 10.570 14.520 ( 5.502 0.000 0.000) 5.502 14.531 ( 2.447 0.000 0.000) 2.447 14.558 ( -10.316 0.000 0.000) 10.316 14.598 ( -1.812 0.000 0.000) 1.812 14.697 ( -7.149 0.000 0.000) 7.149 14.851 ( 2.292 0.000 0.000) 2.292 14.969 ( -7.705 0.000 0.000) 7.705 15.273 ( 1.323 0.000 0.000) 1.323 15.284 ( 0.283 0.000 0.000) 0.283 16.509 ( 5.465 0.000 0.000) 5.465 16.637 ( -7.158 0.000 0.000) 7.158 16.696 ( 4.856 0.000 0.000) 4.856 16.800 ( -5.501 0.000 0.000) 5.501 17.141 ( 5.593 0.000 0.000) 5.593 17.176 ( 2.062 0.000 0.000) 2.062 17.252 ( -1.588 0.000 0.000) 1.588 17.289 ( 5.478 0.000 0.000) 5.478 17.303 ( -6.654 0.000 0.000) 6.654 17.390 ( -4.505 0.000 0.000) 4.505 17.420 ( 4.188 0.000 0.000) 4.188 17.500 ( -3.636 0.000 0.000) 3.636 19.327 ( 1.688 0.000 0.000) 1.688 19.362 ( -1.621 0.000 0.000) 1.621 19.518 ( 0.145 0.000 0.000) 0.145 19.524 ( -0.468 0.000 0.000) 0.468 19.852 ( 1.347 0.000 0.000) 1.347 19.869 ( -0.355 0.000 0.000) 0.355 19.899 ( 1.311 0.000 0.000) 1.311 19.929 ( -1.716 0.000 0.000) 1.716 19.952 ( 2.665 0.000 0.000) 2.665 20.005 ( -2.569 0.000 0.000) 2.569 20.127 ( 0.904 0.000 0.000) 0.904 20.143 ( -0.666 0.000 0.000) 0.666 20.598 ( 1.836 0.000 0.000) 1.836 20.619 ( -0.338 0.000 0.000) 0.338 20.879 ( 6.785 0.000 0.000) 6.785 21.041 ( -9.148 0.000 0.000) 9.148 21.910 ( 2.426 0.000 0.000) 2.426 21.956 ( -1.990 0.000 0.000) 1.990 21.959 ( 3.653 0.000 0.000) 3.653 22.014 ( -1.563 0.000 0.000) 1.563 22.207 ( 3.299 0.000 0.000) 3.299 22.273 ( -3.173 0.000 0.000) 3.173 22.516 ( 4.122 0.000 0.000) 4.122 22.613 ( -5.114 0.000 0.000) 5.114 26.432 ( 0.357 0.000 0.000) 0.357 26.438 ( -0.171 0.000 0.000) 0.171 26.454 ( -0.066 0.000 0.000) 0.066 26.454 ( -0.064 0.000 0.000) 0.064 26.823 ( 2.510 0.000 0.000) 2.510 26.827 ( 2.569 0.000 0.000) 2.569 26.869 ( -1.950 0.000 0.000) 1.950 26.874 ( -2.062 0.000 0.000) 2.062 27.426 ( 0.469 0.000 0.000) 0.469 27.440 ( -0.857 0.000 0.000) 0.857 27.447 ( 0.459 0.000 0.000) 0.459 27.454 ( -0.248 0.000 0.000) 0.248 34.813 ( 2.895 0.000 0.000) 2.895 34.852 ( -0.727 0.000 0.000) 0.727 35.363 ( 0.787 0.000 0.000) 0.787 35.399 ( -2.924 0.000 0.000) 2.924 35.847 ( -0.393 0.000 0.000) 0.393 35.851 ( -0.859 0.000 0.000) 0.859 37.173 ( 0.306 0.000 0.000) 0.306 37.180 ( -0.305 0.000 0.000) 0.305 37.473 ( 1.143 0.000 0.000) 1.143 37.510 ( -2.257 0.000 0.000) 2.257 37.647 ( 1.746 0.000 0.000) 1.746 37.665 ( 2.336 0.000 0.000) 2.336 37.667 ( -0.084 0.000 0.000) 0.084 37.703 ( -1.713 0.000 0.000) 1.713 37.936 ( 0.022 0.000 0.000) 0.022 37.968 ( -2.869 0.000 0.000) 2.869 38.047 ( 0.590 0.000 0.000) 0.590 38.065 ( -1.358 0.000 0.000) 1.358 38.579 ( 6.474 0.000 0.000) 6.474 38.698 ( 4.168 0.000 0.000) 4.168 38.708 ( -6.272 0.000 0.000) 6.272 38.765 ( -2.432 0.000 0.000) 2.432 38.902 ( 8.873 0.000 0.000) 8.873 39.093 ( -9.692 0.000 0.000) 9.692 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 49.415 0.000) 49.415 1.124 ( 0.000 49.964 0.000) 49.964 1.884 ( 0.000 82.000 0.000) 82.000 2.213 ( 0.000 -48.006 0.000) 48.006 2.235 ( 0.000 -48.760 0.000) 48.760 3.641 ( 0.000 -71.808 0.000) 71.808 4.115 ( 0.000 9.237 0.000) 9.237 4.250 ( 0.000 -1.076 0.000) 1.076 4.269 ( 0.000 41.237 0.000) 41.237 4.329 ( 0.000 5.708 0.000) 5.708 4.376 ( 0.000 42.025 0.000) 42.025 4.475 ( 0.000 -6.129 0.000) 6.129 4.913 ( 0.000 5.102 0.000) 5.102 4.997 ( 0.000 -12.411 0.000) 12.411 5.128 ( 0.000 -4.725 0.000) 4.725 5.186 ( 0.000 -20.528 0.000) 20.528 5.219 ( 0.000 -15.351 0.000) 15.351 5.255 ( 0.000 -21.503 0.000) 21.503 5.386 ( 0.000 -1.133 0.000) 1.133 5.420 ( 0.000 -13.228 0.000) 13.228 5.758 ( 0.000 11.287 0.000) 11.287 5.824 ( 0.000 4.968 0.000) 4.968 6.123 ( 0.000 8.009 0.000) 8.009 6.161 ( 0.000 4.925 0.000) 4.925 6.230 ( 0.000 11.109 0.000) 11.109 6.292 ( 0.000 -6.903 0.000) 6.903 6.378 ( 0.000 -13.806 0.000) 13.806 6.455 ( 0.000 -6.104 0.000) 6.104 6.604 ( 0.000 1.818 0.000) 1.818 6.730 ( 0.000 -9.426 0.000) 9.426 6.840 ( 0.000 7.812 0.000) 7.812 7.017 ( 0.000 38.299 0.000) 38.299 7.058 ( 0.000 -11.168 0.000) 11.168 7.131 ( 0.000 1.459 0.000) 1.459 7.144 ( 0.000 -1.401 0.000) 1.401 7.246 ( 0.000 14.030 0.000) 14.030 7.355 ( 0.000 19.389 0.000) 19.389 7.432 ( 0.000 4.553 0.000) 4.553 7.464 ( 0.000 -0.128 0.000) 0.128 7.535 ( 0.000 -9.429 0.000) 9.429 7.568 ( 0.000 -4.398 0.000) 4.398 7.637 ( 0.000 3.355 0.000) 3.355 7.725 ( 0.000 10.374 0.000) 10.374 7.750 ( 0.000 -12.704 0.000) 12.704 7.780 ( 0.000 5.450 0.000) 5.450 7.966 ( 0.000 -8.182 0.000) 8.182 7.975 ( 0.000 1.443 0.000) 1.443 8.026 ( 0.000 -25.140 0.000) 25.140 8.027 ( 0.000 11.959 0.000) 11.959 8.149 ( 0.000 2.345 0.000) 2.345 8.153 ( 0.000 2.635 0.000) 2.635 8.232 ( 0.000 4.458 0.000) 4.458 8.240 ( 0.000 3.837 0.000) 3.837 8.268 ( 0.000 -2.660 0.000) 2.660 8.326 ( 0.000 -0.764 0.000) 0.764 8.329 ( 0.000 3.585 0.000) 3.585 8.479 ( 0.000 -3.929 0.000) 3.929 8.647 ( 0.000 -25.070 0.000) 25.070 8.703 ( 0.000 3.308 0.000) 3.308 8.753 ( 0.000 -2.844 0.000) 2.844 8.781 ( 0.000 7.216 0.000) 7.216 9.025 ( 0.000 -9.866 0.000) 9.866 9.274 ( 0.000 -5.238 0.000) 5.238 9.275 ( 0.000 -4.677 0.000) 4.677 9.278 ( 0.000 3.036 0.000) 3.036 9.284 ( 0.000 1.640 0.000) 1.640 9.404 ( 0.000 4.661 0.000) 4.661 9.536 ( 0.000 -6.090 0.000) 6.090 9.579 ( 0.000 -2.335 0.000) 2.335 9.603 ( 0.000 -3.614 0.000) 3.614 9.690 ( 0.000 11.325 0.000) 11.325 9.704 ( 0.000 4.062 0.000) 4.062 9.753 ( 0.000 -1.010 0.000) 1.010 9.779 ( 0.000 8.168 0.000) 8.168 9.842 ( 0.000 2.548 0.000) 2.548 9.898 ( 0.000 -1.496 0.000) 1.496 10.021 ( 0.000 1.326 0.000) 1.326 10.147 ( 0.000 1.678 0.000) 1.678 10.189 ( 0.000 0.038 0.000) 0.038 10.217 ( 0.000 -1.730 0.000) 1.730 10.241 ( 0.000 -3.205 0.000) 3.205 10.263 ( 0.000 -14.524 0.000) 14.524 10.328 ( 0.000 -0.379 0.000) 0.379 10.403 ( 0.000 -4.206 0.000) 4.206 10.500 ( 0.000 9.508 0.000) 9.508 10.594 ( 0.000 2.259 0.000) 2.259 10.596 ( 0.000 -1.775 0.000) 1.775 10.710 ( 0.000 -5.346 0.000) 5.346 10.719 ( 0.000 15.127 0.000) 15.127 10.792 ( 0.000 -0.398 0.000) 0.398 10.809 ( 0.000 -1.887 0.000) 1.887 10.810 ( 0.000 -0.560 0.000) 0.560 10.857 ( 0.000 -5.378 0.000) 5.378 10.899 ( 0.000 7.029 0.000) 7.029 11.038 ( 0.000 -0.789 0.000) 0.789 11.046 ( 0.000 9.470 0.000) 9.470 11.066 ( 0.000 -3.732 0.000) 3.732 11.110 ( 0.000 7.108 0.000) 7.108 11.131 ( 0.000 -3.004 0.000) 3.004 11.192 ( 0.000 1.602 0.000) 1.602 11.224 ( 0.000 -1.221 0.000) 1.221 11.260 ( 0.000 7.499 0.000) 7.499 11.347 ( 0.000 -11.888 0.000) 11.888 11.404 ( 0.000 7.579 0.000) 7.579 11.420 ( 0.000 -5.567 0.000) 5.567 11.503 ( 0.000 7.043 0.000) 7.043 11.656 ( 0.000 -9.081 0.000) 9.081 11.685 ( 0.000 -5.814 0.000) 5.814 11.698 ( 0.000 12.381 0.000) 12.381 11.808 ( 0.000 0.030 0.000) 0.030 11.865 ( 0.000 -3.398 0.000) 3.398 11.931 ( 0.000 1.118 0.000) 1.118 12.085 ( 0.000 8.366 0.000) 8.366 12.091 ( 0.000 -7.567 0.000) 7.567 12.143 ( 0.000 -8.612 0.000) 8.612 12.188 ( 0.000 4.257 0.000) 4.257 12.245 ( 0.000 -4.687 0.000) 4.687 12.265 ( 0.000 -1.239 0.000) 1.239 12.395 ( 0.000 3.026 0.000) 3.026 12.472 ( 0.000 -0.794 0.000) 0.794 12.553 ( 0.000 5.920 0.000) 5.920 12.795 ( 0.000 -12.594 0.000) 12.594 12.888 ( 0.000 -0.396 0.000) 0.396 12.965 ( 0.000 -4.626 0.000) 4.626 13.011 ( 0.000 0.311 0.000) 0.311 13.023 ( 0.000 -0.766 0.000) 0.766 13.245 ( 0.000 -1.387 0.000) 1.387 13.245 ( 0.000 -1.397 0.000) 1.397 13.417 ( 0.000 6.003 0.000) 6.003 13.460 ( 0.000 6.014 0.000) 6.014 13.486 ( 0.000 1.335 0.000) 1.335 13.582 ( 0.000 -3.933 0.000) 3.933 13.765 ( 0.000 7.645 0.000) 7.645 13.934 ( 0.000 -6.105 0.000) 6.105 14.381 ( 0.000 2.776 0.000) 2.776 14.427 ( 0.000 -0.442 0.000) 0.442 14.604 ( 0.000 0.819 0.000) 0.819 14.638 ( 0.000 -2.097 0.000) 2.097 14.796 ( 0.000 3.038 0.000) 3.038 14.842 ( 0.000 0.590 0.000) 0.590 15.004 ( 0.000 4.006 0.000) 4.006 15.060 ( 0.000 5.361 0.000) 5.361 15.159 ( 0.000 -7.016 0.000) 7.016 15.175 ( 0.000 -4.130 0.000) 4.130 16.445 ( 0.000 3.516 0.000) 3.516 16.534 ( 0.000 -3.722 0.000) 3.722 16.886 ( 0.000 1.243 0.000) 1.243 16.923 ( 0.000 -1.905 0.000) 1.905 17.027 ( 0.000 2.486 0.000) 2.486 17.080 ( 0.000 -1.996 0.000) 1.996 17.270 ( 0.000 3.157 0.000) 3.157 17.290 ( 0.000 1.048 0.000) 1.048 17.317 ( 0.000 -1.138 0.000) 1.138 17.352 ( 0.000 -3.666 0.000) 3.666 17.624 ( 0.000 2.542 0.000) 2.542 17.674 ( 0.000 -1.703 0.000) 1.703 19.338 ( 0.000 4.198 0.000) 4.198 19.452 ( 0.000 -5.064 0.000) 5.064 19.509 ( 0.000 0.648 0.000) 0.648 19.526 ( 0.000 -0.729 0.000) 0.729 19.821 ( 0.000 1.323 0.000) 1.323 19.855 ( 0.000 -1.409 0.000) 1.409 19.857 ( 0.000 0.725 0.000) 0.725 19.883 ( 0.000 -1.221 0.000) 1.221 20.030 ( 0.000 3.614 0.000) 3.614 20.071 ( 0.000 0.643 0.000) 0.643 20.084 ( 0.000 -0.451 0.000) 0.451 20.111 ( 0.000 -3.324 0.000) 3.324 20.652 ( 0.000 3.011 0.000) 3.011 20.717 ( 0.000 -2.380 0.000) 2.380 21.253 ( 0.000 1.108 0.000) 1.108 21.283 ( 0.000 -1.311 0.000) 1.311 21.857 ( 0.000 2.097 0.000) 2.097 21.897 ( 0.000 3.625 0.000) 3.625 21.917 ( 0.000 -3.050 0.000) 3.050 21.978 ( 0.000 -2.908 0.000) 2.908 22.058 ( 0.000 2.812 0.000) 2.812 22.110 ( 0.000 -1.691 0.000) 1.691 22.367 ( 0.000 1.972 0.000) 1.972 22.421 ( 0.000 -2.333 0.000) 2.333 26.432 ( 0.000 0.588 0.000) 0.588 26.434 ( 0.000 0.354 0.000) 0.354 26.443 ( 0.000 -0.357 0.000) 0.357 26.448 ( 0.000 -0.657 0.000) 0.657 26.760 ( 0.000 0.119 0.000) 0.119 26.763 ( 0.000 -0.108 0.000) 0.108 26.910 ( 0.000 0.312 0.000) 0.312 26.915 ( 0.000 -0.117 0.000) 0.117 27.424 ( 0.000 0.028 0.000) 0.028 27.427 ( 0.000 -0.155 0.000) 0.155 27.458 ( 0.000 0.103 0.000) 0.103 27.461 ( 0.000 -0.108 0.000) 0.108 34.836 ( 0.000 9.031 0.000) 9.031 35.112 ( 0.000 -14.540 0.000) 14.540 35.538 ( 0.000 2.628 0.000) 2.628 35.607 ( 0.000 -2.969 0.000) 2.969 35.898 ( 0.000 0.191 0.000) 0.191 35.899 ( 0.000 0.103 0.000) 0.103 36.199 ( 0.000 22.288 0.000) 22.288 36.743 ( 0.000 -25.040 0.000) 25.040 37.575 ( 0.000 0.612 0.000) 0.612 37.590 ( 0.000 -0.557 0.000) 0.557 37.674 ( 0.000 2.398 0.000) 2.398 37.729 ( 0.000 -1.646 0.000) 1.646 37.857 ( 0.000 0.239 0.000) 0.239 37.865 ( 0.000 -0.363 0.000) 0.363 37.928 ( 0.000 17.383 0.000) 17.383 37.992 ( 0.000 0.998 0.000) 0.998 38.007 ( 0.000 -0.561 0.000) 0.561 38.267 ( 0.000 -11.511 0.000) 11.511 38.637 ( 0.000 2.786 0.000) 2.786 38.686 ( 0.000 -1.506 0.000) 1.506 38.816 ( 0.000 1.324 0.000) 1.324 38.845 ( 0.000 -1.054 0.000) 1.054 39.136 ( 0.000 1.239 0.000) 1.239 39.169 ( 0.000 -1.391 0.000) 1.391 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 29.459 35.102 0.000) 45.825 1.484 ( 31.615 37.300 0.000) 48.896 2.312 ( 12.493 -42.950 0.000) 44.730 2.422 ( 17.935 -44.042 0.000) 47.553 2.490 ( 49.840 61.751 0.000) 79.355 3.701 ( -31.761 13.016 0.000) 34.324 3.847 ( -31.127 4.201 0.000) 31.410 3.951 ( 19.928 -49.404 0.000) 53.272 4.033 ( -26.029 -15.023 0.000) 30.053 4.164 ( -24.516 -8.254 0.000) 25.869 4.302 ( 1.390 22.751 0.000) 22.793 4.453 ( 6.369 40.190 0.000) 40.692 4.738 ( -10.799 18.079 0.000) 21.059 5.019 ( -0.972 -20.168 0.000) 20.191 5.100 ( -11.211 -6.492 0.000) 12.955 5.212 ( -1.331 -10.775 0.000) 10.857 5.234 ( -0.483 2.158 0.000) 2.211 5.373 ( 16.706 -5.193 0.000) 17.495 5.419 ( 2.500 -22.341 0.000) 22.480 5.603 ( 4.964 -18.061 0.000) 18.730 5.636 ( -2.026 9.127 0.000) 9.349 5.868 ( -0.328 -5.968 0.000) 5.977 6.013 ( -14.815 8.825 0.000) 17.244 6.246 ( 10.652 6.542 0.000) 12.500 6.262 ( -7.880 -7.016 0.000) 10.551 6.342 ( 9.639 5.225 0.000) 10.964 6.452 ( -1.756 -1.885 0.000) 2.576 6.455 ( 7.373 -12.069 0.000) 14.143 6.667 ( 7.821 8.153 0.000) 11.298 6.848 ( -0.518 -1.552 0.000) 1.636 6.868 ( 11.802 -4.758 0.000) 12.725 6.910 ( -7.953 0.826 0.000) 7.996 7.051 ( 4.140 27.713 0.000) 28.020 7.066 ( -9.444 11.642 0.000) 14.991 7.197 ( 5.467 5.599 0.000) 7.826 7.275 ( -11.861 6.366 0.000) 13.462 7.281 ( 5.717 4.038 0.000) 6.999 7.369 ( 3.982 2.218 0.000) 4.558 7.426 ( -1.039 -0.594 0.000) 1.197 7.474 ( 2.976 2.827 0.000) 4.104 7.530 ( -2.634 -6.577 0.000) 7.085 7.649 ( -4.022 -5.731 0.000) 7.001 7.658 ( -4.693 7.077 0.000) 8.491 7.700 ( 0.560 -0.380 0.000) 0.677 7.829 ( -4.433 -3.606 0.000) 5.715 7.865 ( -11.090 -5.205 0.000) 12.251 7.902 ( 1.177 -8.585 0.000) 8.665 7.977 ( -5.033 -8.407 0.000) 9.799 8.125 ( 6.183 4.463 0.000) 7.625 8.141 ( -0.810 2.655 0.000) 2.776 8.158 ( 1.587 1.050 0.000) 1.903 8.280 ( -0.494 2.365 0.000) 2.416 8.313 ( 3.000 -0.842 0.000) 3.115 8.313 ( 5.589 2.661 0.000) 6.191 8.354 ( 8.160 0.508 0.000) 8.176 8.561 ( 8.988 12.357 0.000) 15.280 8.616 ( -3.338 -13.540 0.000) 13.946 8.697 ( -1.473 12.932 0.000) 13.016 8.748 ( 4.347 -6.739 0.000) 8.020 8.791 ( 1.526 -6.400 0.000) 6.579 8.804 ( 16.884 -4.259 0.000) 17.413 8.976 ( 3.264 -7.235 0.000) 7.937 9.207 ( -7.765 6.804 0.000) 10.325 9.231 ( -2.030 -3.476 0.000) 4.025 9.249 ( -3.278 1.385 0.000) 3.559 9.288 ( 0.305 -7.061 0.000) 7.067 9.447 ( 3.595 2.110 0.000) 4.168 9.500 ( -7.793 2.389 0.000) 8.151 9.547 ( 1.761 -6.358 0.000) 6.598 9.600 ( -2.622 -6.085 0.000) 6.626 9.696 ( -2.438 5.126 0.000) 5.676 9.696 ( -0.793 7.211 0.000) 7.255 9.784 ( -2.913 -0.560 0.000) 2.967 9.828 ( 9.539 0.767 0.000) 9.570 9.854 ( -10.466 -4.049 0.000) 11.222 9.926 ( 0.910 5.419 0.000) 5.495 9.929 ( 7.676 -5.664 0.000) 9.540 10.117 ( -10.293 -4.304 0.000) 11.157 10.133 ( -10.443 -4.642 0.000) 11.429 10.157 ( 0.952 -0.986 0.000) 1.371 10.217 ( 2.862 -0.369 0.000) 2.886 10.238 ( -3.833 -0.840 0.000) 3.924 10.275 ( -6.507 -1.878 0.000) 6.772 10.328 ( 2.471 -7.928 0.000) 8.304 10.574 ( -1.776 0.851 0.000) 1.969 10.601 ( 5.272 -2.329 0.000) 5.764 10.625 ( -5.043 -3.300 0.000) 6.027 10.651 ( 0.806 -3.870 0.000) 3.953 10.699 ( 4.983 12.048 0.000) 13.038 10.769 ( 2.248 5.520 0.000) 5.960 10.836 ( -1.434 -3.858 0.000) 4.116 10.887 ( 0.323 -2.603 0.000) 2.623 10.905 ( 1.180 5.599 0.000) 5.723 10.929 ( 6.252 5.842 0.000) 8.557 11.021 ( -0.032 -1.232 0.000) 1.232 11.056 ( 1.865 8.376 0.000) 8.581 11.117 ( 0.681 7.380 0.000) 7.411 11.133 ( 4.351 -5.774 0.000) 7.230 11.212 ( 3.590 3.180 0.000) 4.796 11.237 ( 6.677 3.441 0.000) 7.511 11.283 ( -0.708 0.848 0.000) 1.104 11.287 ( 1.082 5.121 0.000) 5.234 11.386 ( 6.847 -10.559 0.000) 12.585 11.442 ( 1.213 -4.707 0.000) 4.861 11.444 ( 4.465 9.255 0.000) 10.276 11.544 ( -4.159 4.199 0.000) 5.910 11.590 ( 5.298 2.896 0.000) 6.038 11.629 ( -6.721 3.312 0.000) 7.493 11.714 ( -7.147 -3.624 0.000) 8.014 11.797 ( 4.887 -11.592 0.000) 12.580 11.820 ( -0.810 9.356 0.000) 9.391 12.038 ( 4.876 2.054 0.000) 5.291 12.103 ( 2.608 1.432 0.000) 2.975 12.108 ( 2.512 -9.213 0.000) 9.549 12.157 ( -0.462 -6.462 0.000) 6.479 12.211 ( -0.205 -4.558 0.000) 4.562 12.264 ( 3.905 -0.159 0.000) 3.908 12.301 ( 3.948 -0.742 0.000) 4.017 12.421 ( 2.445 1.644 0.000) 2.946 12.500 ( 3.013 -0.136 0.000) 3.016 12.520 ( -1.966 6.748 0.000) 7.029 12.812 ( -0.501 -1.855 0.000) 1.922 12.838 ( -1.526 -9.319 0.000) 9.443 12.882 ( -8.497 6.351 0.000) 10.609 12.985 ( -9.580 1.526 0.000) 9.701 12.987 ( 0.630 -8.263 0.000) 8.287 13.053 ( -5.169 0.708 0.000) 5.217 13.158 ( -5.083 -8.785 0.000) 10.149 13.430 ( 1.233 7.047 0.000) 7.154 13.504 ( 1.526 1.360 0.000) 2.044 13.568 ( 0.698 1.874 0.000) 2.000 13.593 ( -2.597 1.209 0.000) 2.865 13.892 ( 12.124 3.352 0.000) 12.579 14.025 ( 9.149 -7.023 0.000) 11.533 14.349 ( -2.616 4.074 0.000) 4.842 14.439 ( 0.234 -3.158 0.000) 3.167 14.564 ( -1.562 3.974 0.000) 4.270 14.637 ( -1.097 -2.271 0.000) 2.523 14.742 ( -5.220 2.427 0.000) 5.757 14.792 ( -4.667 -0.420 0.000) 4.686 14.987 ( -1.029 7.097 0.000) 7.172 15.091 ( 0.438 2.957 0.000) 2.989 15.175 ( 1.328 -7.429 0.000) 7.547 15.191 ( 1.269 -4.211 0.000) 4.398 16.470 ( 2.576 3.378 0.000) 4.248 16.557 ( 2.622 -3.824 0.000) 4.637 16.805 ( -6.137 2.176 0.000) 6.512 16.866 ( -5.109 -2.925 0.000) 5.887 17.077 ( 4.354 3.043 0.000) 5.312 17.145 ( 4.781 -2.667 0.000) 5.475 17.254 ( -0.657 5.472 0.000) 5.511 17.301 ( 0.675 1.543 0.000) 1.684 17.335 ( 2.034 -1.214 0.000) 2.369 17.369 ( 0.493 -4.936 0.000) 4.961 17.524 ( -8.643 4.127 0.000) 9.578 17.581 ( -6.102 -0.574 0.000) 6.129 19.343 ( 0.525 3.769 0.000) 3.806 19.450 ( -0.109 -4.997 0.000) 4.998 19.452 ( -3.609 2.915 0.000) 4.639 19.505 ( -1.799 -1.998 0.000) 2.689 19.837 ( 1.396 1.605 0.000) 2.127 19.864 ( 0.613 0.674 0.000) 0.912 19.877 ( 1.514 -1.395 0.000) 2.058 19.891 ( 0.705 -1.267 0.000) 1.450 20.026 ( -0.247 3.994 0.000) 4.002 20.060 ( -0.950 1.185 0.000) 1.518 20.089 ( 0.379 -1.142 0.000) 1.203 20.110 ( -0.095 -3.236 0.000) 3.237 20.664 ( 1.094 3.516 0.000) 3.682 20.742 ( 2.528 -2.955 0.000) 3.889 20.901 ( -14.302 17.017 0.000) 22.229 21.151 ( -10.300 -6.222 0.000) 12.033 21.903 ( 3.294 1.761 0.000) 3.735 21.915 ( 1.636 3.590 0.000) 3.945 21.958 ( 0.637 -2.438 0.000) 2.520 21.992 ( 1.070 -2.608 0.000) 2.819 22.184 ( 5.470 3.468 0.000) 6.477 22.352 ( -1.412 2.417 0.000) 2.799 22.362 ( 12.707 -14.417 0.000) 19.218 22.421 ( 0.235 -3.130 0.000) 3.139 26.434 ( 0.150 0.570 0.000) 0.590 26.441 ( 0.434 0.380 0.000) 0.577 26.448 ( 0.037 -0.588 0.000) 0.589 26.450 ( 0.296 -0.420 0.000) 0.514 26.782 ( 2.025 0.212 0.000) 2.036 26.785 ( 1.927 0.019 0.000) 1.928 26.901 ( -0.915 0.278 0.000) 0.956 26.905 ( -0.995 -0.063 0.000) 0.997 27.424 ( 0.058 0.195 0.000) 0.203 27.431 ( 0.320 -0.390 0.000) 0.505 27.449 ( -0.521 -0.014 0.000) 0.522 27.454 ( -0.641 -0.313 0.000) 0.714 34.859 ( 2.194 8.802 0.000) 9.072 35.124 ( 1.301 -13.897 0.000) 13.958 35.189 ( -15.502 15.862 0.000) 22.180 35.415 ( -9.059 -5.378 0.000) 10.535 35.980 ( 5.712 9.755 0.000) 11.304 36.182 ( -1.662 21.954 0.000) 22.016 36.359 ( 18.729 -26.431 0.000) 32.394 36.727 ( -1.583 -25.502 0.000) 25.551 37.592 ( 1.393 0.685 0.000) 1.552 37.606 ( 1.460 -0.501 0.000) 1.543 37.670 ( -0.364 1.587 0.000) 1.628 37.703 ( -2.217 -0.693 0.000) 2.322 37.815 ( -1.622 4.660 0.000) 4.934 37.889 ( 0.705 -3.288 0.000) 3.363 37.910 ( -1.917 11.661 0.000) 11.817 37.972 ( -1.632 0.749 0.000) 1.795 38.051 ( 4.155 5.510 0.000) 6.901 38.318 ( 4.975 -11.191 0.000) 12.247 38.648 ( -16.842 13.042 0.000) 21.302 38.676 ( 3.661 3.223 0.000) 4.878 38.736 ( 4.681 -1.969 0.000) 5.078 38.770 ( -5.963 -2.228 0.000) 6.366 38.929 ( -5.058 11.084 0.000) 12.183 39.161 ( -5.792 -7.913 0.000) 9.806 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 41.192 19.167 0.000) 45.433 2.226 ( 40.666 23.473 0.000) 46.954 2.722 ( 27.716 -31.136 0.000) 41.685 2.866 ( 11.729 -20.908 0.000) 23.973 3.000 ( -24.620 1.804 0.000) 24.686 3.065 ( -41.409 16.011 0.000) 44.397 3.400 ( -32.857 -22.383 0.000) 39.756 3.513 ( -5.265 -6.042 0.000) 8.014 3.658 ( 31.834 19.351 0.000) 37.254 4.240 ( 7.961 22.419 0.000) 23.791 4.405 ( -13.304 24.775 0.000) 28.121 4.698 ( -13.468 23.157 0.000) 26.788 4.706 ( 29.645 -26.288 0.000) 39.622 4.747 ( -13.879 19.153 0.000) 23.653 4.976 ( -6.292 10.022 0.000) 11.834 5.027 ( -13.096 5.812 0.000) 14.328 5.070 ( -4.483 -12.181 0.000) 12.980 5.336 ( -11.728 -21.612 0.000) 24.589 5.518 ( 1.712 -31.983 0.000) 32.029 5.613 ( 2.084 -18.711 0.000) 18.826 5.727 ( 4.798 0.588 0.000) 4.834 5.855 ( 6.807 -9.133 0.000) 11.391 5.873 ( -7.309 -4.269 0.000) 8.465 6.048 ( -9.173 -17.400 0.000) 19.670 6.391 ( 1.201 1.863 0.000) 2.217 6.428 ( 5.456 -1.834 0.000) 5.756 6.487 ( 0.642 -7.755 0.000) 7.781 6.524 ( -6.443 -8.580 0.000) 10.730 6.785 ( 4.877 20.996 0.000) 21.555 6.855 ( 3.416 2.488 0.000) 4.226 6.921 ( 10.783 -2.531 0.000) 11.076 7.061 ( 4.435 2.349 0.000) 5.019 7.064 ( -1.533 28.145 0.000) 28.187 7.143 ( 5.791 8.339 0.000) 10.153 7.196 ( 10.311 1.581 0.000) 10.432 7.298 ( 3.639 9.503 0.000) 10.176 7.299 ( -10.313 2.162 0.000) 10.537 7.405 ( 4.230 6.222 0.000) 7.523 7.465 ( -1.027 -0.245 0.000) 1.055 7.476 ( -10.702 5.651 0.000) 12.102 7.487 ( 3.171 -0.852 0.000) 3.284 7.591 ( -5.560 -2.937 0.000) 6.288 7.618 ( 0.078 -6.761 0.000) 6.762 7.619 ( 0.764 -13.619 0.000) 13.641 7.737 ( 1.016 -2.652 0.000) 2.840 7.827 ( 2.181 0.623 0.000) 2.269 7.860 ( -5.380 0.745 0.000) 5.431 7.877 ( -2.968 -3.761 0.000) 4.791 8.140 ( 1.928 4.473 0.000) 4.870 8.198 ( -0.664 6.527 0.000) 6.561 8.254 ( 7.486 -3.066 0.000) 8.090 8.264 ( 1.838 4.718 0.000) 5.063 8.361 ( -0.237 -1.302 0.000) 1.324 8.376 ( -5.373 4.760 0.000) 7.178 8.458 ( 1.248 0.100 0.000) 1.252 8.504 ( -5.965 -4.780 0.000) 7.644 8.575 ( 6.702 11.091 0.000) 12.959 8.738 ( 9.081 -0.819 0.000) 9.118 8.757 ( -4.635 -0.159 0.000) 4.638 8.876 ( 1.558 -8.695 0.000) 8.834 8.936 ( 0.865 6.287 0.000) 6.347 9.003 ( -9.092 10.496 0.000) 13.886 9.148 ( -4.531 -1.291 0.000) 4.712 9.195 ( -3.543 -10.622 0.000) 11.197 9.289 ( 3.824 4.696 0.000) 6.056 9.371 ( 17.802 -2.323 0.000) 17.953 9.375 ( -3.825 0.501 0.000) 3.858 9.494 ( -4.196 -5.805 0.000) 7.163 9.530 ( 4.346 1.426 0.000) 4.574 9.596 ( 1.990 -3.978 0.000) 4.448 9.637 ( -3.241 1.730 0.000) 3.674 9.673 ( 0.710 -0.015 0.000) 0.710 9.695 ( -5.781 -2.826 0.000) 6.435 9.735 ( 2.233 -6.398 0.000) 6.776 9.831 ( -13.210 -1.100 0.000) 13.256 9.883 ( -9.423 -5.598 0.000) 10.960 9.969 ( 2.164 2.735 0.000) 3.488 10.003 ( -1.596 1.056 0.000) 1.914 10.063 ( 5.960 -4.508 0.000) 7.473 10.152 ( -2.452 -7.533 0.000) 7.923 10.222 ( 0.019 4.036 0.000) 4.036 10.239 ( -0.162 -3.682 0.000) 3.686 10.257 ( 6.264 -3.370 0.000) 7.113 10.355 ( -1.690 -8.224 0.000) 8.396 10.533 ( -0.256 1.520 0.000) 1.542 10.565 ( -0.204 -0.470 0.000) 0.512 10.617 ( -2.975 -3.183 0.000) 4.357 10.629 ( -2.442 -4.233 0.000) 4.887 10.793 ( 1.379 3.552 0.000) 3.810 10.816 ( -1.600 4.695 0.000) 4.960 10.895 ( 6.520 -1.063 0.000) 6.606 10.899 ( 5.377 3.325 0.000) 6.322 10.958 ( 1.633 2.739 0.000) 3.189 10.988 ( -0.755 9.108 0.000) 9.140 11.060 ( 4.305 -2.521 0.000) 4.989 11.100 ( 4.225 7.686 0.000) 8.771 11.170 ( -3.696 -5.164 0.000) 6.351 11.171 ( 3.019 6.355 0.000) 7.036 11.262 ( 3.890 3.360 0.000) 5.140 11.267 ( -2.245 8.488 0.000) 8.780 11.305 ( -2.013 7.586 0.000) 7.848 11.315 ( 5.641 -1.637 0.000) 5.874 11.401 ( -6.762 -3.674 0.000) 7.695 11.431 ( -2.930 -3.860 0.000) 4.846 11.500 ( -0.257 1.649 0.000) 1.669 11.510 ( -1.902 0.873 0.000) 2.093 11.545 ( 3.951 -2.510 0.000) 4.680 11.608 ( -3.475 -6.332 0.000) 7.223 11.692 ( 5.220 9.145 0.000) 10.530 11.784 ( -3.336 14.987 0.000) 15.354 11.903 ( 6.992 -2.873 0.000) 7.559 12.054 ( -6.128 -2.865 0.000) 6.765 12.123 ( 1.193 -1.393 0.000) 1.835 12.153 ( 0.071 -4.337 0.000) 4.338 12.174 ( 2.631 -7.592 0.000) 8.035 12.193 ( -0.218 -8.728 0.000) 8.730 12.379 ( 6.552 0.720 0.000) 6.591 12.419 ( 6.133 -1.257 0.000) 6.261 12.457 ( -0.200 0.571 0.000) 0.605 12.491 ( -1.381 -0.595 0.000) 1.503 12.610 ( 6.567 7.588 0.000) 10.035 12.725 ( -6.475 10.517 0.000) 12.350 12.748 ( -1.243 8.489 0.000) 8.580 12.823 ( -6.576 3.165 0.000) 7.298 12.898 ( 4.444 -16.055 0.000) 16.658 12.953 ( -3.529 -4.132 0.000) 5.434 12.977 ( -0.465 -12.397 0.000) 12.406 13.057 ( -6.256 -15.251 0.000) 16.485 13.463 ( 2.089 7.509 0.000) 7.794 13.517 ( -3.419 4.930 0.000) 5.999 13.532 ( 1.021 1.770 0.000) 2.043 13.549 ( -1.205 2.364 0.000) 2.653 14.130 ( 10.268 2.484 0.000) 10.564 14.237 ( 10.869 -6.430 0.000) 12.628 14.278 ( -4.922 4.321 0.000) 6.550 14.405 ( -4.761 -6.511 0.000) 8.065 14.564 ( 1.620 2.723 0.000) 3.169 14.616 ( -0.042 -0.875 0.000) 0.876 14.625 ( -5.022 2.659 0.000) 5.682 14.677 ( -5.825 -1.807 0.000) 6.099 14.992 ( 1.925 9.999 0.000) 10.183 15.053 ( -3.429 6.931 0.000) 7.733 15.200 ( 0.975 -7.213 0.000) 7.278 15.208 ( 0.220 -5.571 0.000) 5.575 16.549 ( 5.333 3.301 0.000) 6.271 16.638 ( 5.217 -4.079 0.000) 6.623 16.673 ( -6.778 2.945 0.000) 7.390 16.752 ( -6.002 -3.565 0.000) 6.981 17.177 ( 5.390 2.731 0.000) 6.042 17.239 ( 4.169 -2.158 0.000) 4.694 17.245 ( -0.896 4.389 0.000) 4.479 17.318 ( 1.670 3.130 0.000) 3.547 17.330 ( -5.193 -1.838 0.000) 5.509 17.380 ( -4.464 2.985 0.000) 5.370 17.390 ( 3.263 -2.586 0.000) 4.164 17.467 ( -4.815 -3.012 0.000) 5.679 19.361 ( 1.300 2.963 0.000) 3.236 19.395 ( -2.209 2.716 0.000) 3.501 19.452 ( 0.418 -4.612 0.000) 4.631 19.470 ( -1.434 -3.630 0.000) 3.903 19.863 ( 0.986 1.502 0.000) 1.797 19.873 ( 0.054 0.989 0.000) 0.990 19.901 ( 0.776 -1.150 0.000) 1.387 19.905 ( 0.432 -1.456 0.000) 1.519 20.025 ( 0.284 4.132 0.000) 4.142 20.039 ( -1.016 2.715 0.000) 2.899 20.097 ( 0.473 -2.200 0.000) 2.251 20.106 ( -0.343 -2.895 0.000) 2.915 20.693 ( 1.855 5.585 0.000) 5.885 20.745 ( -3.872 10.415 0.000) 11.112 20.820 ( 5.342 -4.809 0.000) 7.187 20.957 ( -8.494 -7.217 0.000) 11.146 21.950 ( 1.574 2.826 0.000) 3.235 21.964 ( 1.421 0.551 0.000) 1.524 21.969 ( 1.400 0.353 0.000) 1.444 22.002 ( -0.527 -1.348 0.000) 1.447 22.268 ( 2.967 5.871 0.000) 6.578 22.316 ( -2.098 3.990 0.000) 4.508 22.439 ( 1.548 -5.856 0.000) 6.057 22.464 ( 0.092 -10.328 0.000) 10.328 26.439 ( 0.319 0.491 0.000) 0.586 26.444 ( -0.146 0.385 0.000) 0.412 26.449 ( 0.097 -0.394 0.000) 0.406 26.451 ( -0.088 -0.231 0.000) 0.248 26.830 ( 2.388 0.302 0.000) 2.407 26.830 ( 2.572 0.205 0.000) 2.580 26.873 ( -1.877 0.273 0.000) 1.897 26.876 ( -1.948 0.065 0.000) 1.949 27.428 ( 0.350 0.202 0.000) 0.404 27.438 ( 0.322 -0.607 0.000) 0.688 27.438 ( -0.625 -0.050 0.000) 0.627 27.444 ( -0.329 -0.562 0.000) 0.651 34.918 ( 3.656 8.773 0.000) 9.504 35.005 ( -5.486 11.136 0.000) 12.414 35.166 ( 3.090 -12.275 0.000) 12.658 35.257 ( -6.275 -10.179 0.000) 11.958 36.074 ( 3.755 17.465 0.000) 17.864 36.137 ( -2.708 20.716 0.000) 20.892 36.591 ( 6.715 -28.382 0.000) 29.165 36.681 ( -3.091 -26.785 0.000) 26.963 37.621 ( 1.470 1.259 0.000) 1.936 37.638 ( 1.569 -0.550 0.000) 1.663 37.653 ( -1.676 1.178 0.000) 2.049 37.664 ( -1.190 -0.231 0.000) 1.212 37.813 ( 1.357 6.340 0.000) 6.483 37.858 ( -2.840 7.379 0.000) 7.907 37.904 ( 1.105 -3.074 0.000) 3.267 37.936 ( -1.921 -1.091 0.000) 2.209 38.168 ( 7.614 12.624 0.000) 14.742 38.358 ( -11.688 17.130 0.000) 20.737 38.452 ( 8.081 -9.889 0.000) 12.771 38.621 ( -8.525 -6.821 0.000) 10.918 38.765 ( 4.839 4.235 0.000) 6.430 38.854 ( -3.885 6.337 0.000) 7.433 38.858 ( 7.309 -3.568 0.000) 8.133 39.014 ( -8.054 -6.506 0.000) 10.353 ======================= Grid point 15 (7/36) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 0.000 48.252) 48.252 1.008 ( 0.000 0.000 49.994) 49.994 1.913 ( 0.000 0.000 92.161) 92.161 3.314 ( 0.000 0.000 7.658) 7.658 3.459 ( 0.000 0.000 13.877) 13.877 3.509 ( 0.000 0.000 28.275) 28.275 3.635 ( 0.000 0.000 14.918) 14.918 4.070 ( 0.000 0.000 5.041) 5.041 4.273 ( 0.000 0.000 4.429) 4.429 4.399 ( 0.000 0.000 12.981) 12.981 4.615 ( 0.000 0.000 8.191) 8.191 4.928 ( 0.000 0.000 1.690) 1.690 5.010 ( 0.000 0.000 24.660) 24.660 5.220 ( 0.000 0.000 1.219) 1.219 5.229 ( 0.000 0.000 9.186) 9.186 5.343 ( 0.000 0.000 -2.699) 2.699 5.378 ( 0.000 0.000 4.254) 4.254 5.475 ( 0.000 0.000 7.574) 7.574 5.568 ( 0.000 0.000 -0.689) 0.689 5.658 ( 0.000 0.000 2.464) 2.464 5.841 ( 0.000 0.000 11.656) 11.656 5.990 ( 0.000 0.000 2.456) 2.456 5.999 ( 0.000 0.000 6.659) 6.659 6.042 ( 0.000 0.000 14.216) 14.216 6.140 ( 0.000 0.000 5.187) 5.187 6.372 ( 0.000 0.000 14.144) 14.144 6.431 ( 0.000 0.000 -4.423) 4.423 6.611 ( 0.000 0.000 2.273) 2.273 6.621 ( 0.000 0.000 3.956) 3.956 6.637 ( 0.000 0.000 0.033) 0.033 6.713 ( 0.000 0.000 5.002) 5.002 7.017 ( 0.000 0.000 3.938) 3.938 7.019 ( 0.000 0.000 -5.202) 5.202 7.048 ( 0.000 0.000 -2.375) 2.375 7.155 ( 0.000 0.000 -0.823) 0.823 7.218 ( 0.000 0.000 6.580) 6.580 7.228 ( 0.000 0.000 -3.891) 3.891 7.399 ( 0.000 0.000 -3.773) 3.773 7.419 ( 0.000 0.000 0.686) 0.686 7.449 ( 0.000 0.000 7.246) 7.246 7.533 ( 0.000 0.000 -3.330) 3.330 7.604 ( 0.000 0.000 1.981) 1.981 7.670 ( 0.000 0.000 -0.594) 0.594 7.840 ( 0.000 0.000 -4.812) 4.812 7.878 ( 0.000 0.000 -4.315) 4.315 7.879 ( 0.000 0.000 4.451) 4.451 7.938 ( 0.000 0.000 -11.287) 11.287 7.998 ( 0.000 0.000 -0.352) 0.352 8.059 ( 0.000 0.000 -0.676) 0.676 8.084 ( 0.000 0.000 -10.454) 10.454 8.118 ( 0.000 0.000 3.208) 3.208 8.133 ( 0.000 0.000 3.514) 3.514 8.238 ( 0.000 0.000 -7.884) 7.884 8.382 ( 0.000 0.000 7.410) 7.410 8.386 ( 0.000 0.000 1.156) 1.156 8.493 ( 0.000 0.000 5.792) 5.792 8.566 ( 0.000 0.000 -5.346) 5.346 8.568 ( 0.000 0.000 5.954) 5.954 8.690 ( 0.000 0.000 -3.909) 3.909 8.812 ( 0.000 0.000 0.461) 0.461 8.901 ( 0.000 0.000 -2.458) 2.458 9.180 ( 0.000 0.000 -3.118) 3.118 9.206 ( 0.000 0.000 -10.492) 10.492 9.233 ( 0.000 0.000 -7.415) 7.415 9.307 ( 0.000 0.000 -1.108) 1.108 9.333 ( 0.000 0.000 -1.070) 1.070 9.373 ( 0.000 0.000 -0.295) 0.295 9.398 ( 0.000 0.000 -8.112) 8.112 9.522 ( 0.000 0.000 -0.392) 0.392 9.534 ( 0.000 0.000 -3.481) 3.481 9.664 ( 0.000 0.000 -1.636) 1.636 9.667 ( 0.000 0.000 -6.223) 6.223 9.721 ( 0.000 0.000 1.132) 1.132 9.787 ( 0.000 0.000 5.189) 5.189 9.832 ( 0.000 0.000 -0.439) 0.439 9.904 ( 0.000 0.000 2.496) 2.496 9.923 ( 0.000 0.000 -5.871) 5.871 10.013 ( 0.000 0.000 -7.785) 7.785 10.027 ( 0.000 0.000 -12.923) 12.923 10.158 ( 0.000 0.000 -5.548) 5.548 10.159 ( 0.000 0.000 -4.305) 4.305 10.212 ( 0.000 0.000 -4.911) 4.911 10.311 ( 0.000 0.000 -8.540) 8.540 10.383 ( 0.000 0.000 -3.691) 3.691 10.471 ( 0.000 0.000 -7.894) 7.894 10.520 ( 0.000 0.000 -5.852) 5.852 10.626 ( 0.000 0.000 -1.969) 1.969 10.680 ( 0.000 0.000 -3.354) 3.354 10.717 ( 0.000 0.000 -9.183) 9.183 10.721 ( 0.000 0.000 -1.495) 1.495 10.776 ( 0.000 0.000 -3.367) 3.367 10.835 ( 0.000 0.000 12.422) 12.422 10.848 ( 0.000 0.000 -1.308) 1.308 10.957 ( 0.000 0.000 0.513) 0.513 10.967 ( 0.000 0.000 -14.061) 14.061 10.968 ( 0.000 0.000 -0.937) 0.937 10.990 ( 0.000 0.000 -1.071) 1.071 11.029 ( 0.000 0.000 10.836) 10.836 11.112 ( 0.000 0.000 -5.541) 5.541 11.145 ( 0.000 0.000 10.076) 10.076 11.146 ( 0.000 0.000 4.854) 4.854 11.269 ( 0.000 0.000 14.481) 14.481 11.309 ( 0.000 0.000 0.923) 0.923 11.443 ( 0.000 0.000 -2.360) 2.360 11.452 ( 0.000 0.000 9.584) 9.584 11.475 ( 0.000 0.000 2.392) 2.392 11.639 ( 0.000 0.000 0.173) 0.173 11.671 ( 0.000 0.000 -6.262) 6.262 11.688 ( 0.000 0.000 0.245) 0.245 11.866 ( 0.000 0.000 -3.316) 3.316 11.876 ( 0.000 0.000 -5.342) 5.342 11.976 ( 0.000 0.000 4.271) 4.271 12.079 ( 0.000 0.000 17.782) 17.782 12.145 ( 0.000 0.000 -2.702) 2.702 12.168 ( 0.000 0.000 4.945) 4.945 12.196 ( 0.000 0.000 3.938) 3.938 12.333 ( 0.000 0.000 5.867) 5.867 12.345 ( 0.000 0.000 -3.371) 3.371 12.394 ( 0.000 0.000 5.988) 5.988 12.457 ( 0.000 0.000 0.025) 0.025 12.561 ( 0.000 0.000 9.480) 9.480 12.860 ( 0.000 0.000 2.361) 2.361 12.971 ( 0.000 0.000 -3.390) 3.390 13.015 ( 0.000 0.000 -3.858) 3.858 13.047 ( 0.000 0.000 0.550) 0.550 13.074 ( 0.000 0.000 -8.358) 8.358 13.077 ( 0.000 0.000 -3.907) 3.907 13.123 ( 0.000 0.000 -6.628) 6.628 13.456 ( 0.000 0.000 0.441) 0.441 13.479 ( 0.000 0.000 6.047) 6.047 13.549 ( 0.000 0.000 -5.095) 5.095 13.637 ( 0.000 0.000 -2.941) 2.941 13.731 ( 0.000 0.000 4.102) 4.102 13.782 ( 0.000 0.000 -5.236) 5.236 14.002 ( 0.000 0.000 -7.367) 7.367 14.344 ( 0.000 0.000 -2.829) 2.829 14.643 ( 0.000 0.000 -7.029) 7.029 14.676 ( 0.000 0.000 2.231) 2.231 14.687 ( 0.000 0.000 -1.885) 1.885 14.711 ( 0.000 0.000 -10.014) 10.014 14.947 ( 0.000 0.000 -1.712) 1.712 15.023 ( 0.000 0.000 -17.860) 17.860 15.134 ( 0.000 0.000 -10.771) 10.771 16.456 ( 0.000 0.000 5.340) 5.340 16.608 ( 0.000 0.000 -1.382) 1.382 16.689 ( 0.000 0.000 -2.872) 2.872 16.896 ( 0.000 0.000 2.440) 2.440 17.012 ( 0.000 0.000 4.827) 4.827 17.017 ( 0.000 0.000 3.251) 3.251 17.153 ( 0.000 0.000 3.522) 3.522 17.254 ( 0.000 0.000 -0.588) 0.588 17.302 ( 0.000 0.000 2.343) 2.343 17.367 ( 0.000 0.000 3.635) 3.635 17.427 ( 0.000 0.000 2.167) 2.167 17.530 ( 0.000 0.000 3.925) 3.925 17.716 ( 0.000 0.000 10.902) 10.902 19.197 ( 0.000 0.000 -8.465) 8.465 19.320 ( 0.000 0.000 -7.252) 7.252 19.368 ( 0.000 0.000 -12.754) 12.754 19.401 ( 0.000 0.000 -11.566) 11.566 19.783 ( 0.000 0.000 -7.752) 7.752 19.788 ( 0.000 0.000 -4.312) 4.312 19.792 ( 0.000 0.000 -10.191) 10.191 19.852 ( 0.000 0.000 -10.884) 10.884 19.932 ( 0.000 0.000 -0.825) 0.825 19.968 ( 0.000 0.000 -8.864) 8.864 20.014 ( 0.000 0.000 -7.040) 7.040 20.064 ( 0.000 0.000 -7.962) 7.962 20.577 ( 0.000 0.000 3.930) 3.930 20.645 ( 0.000 0.000 2.690) 2.690 20.776 ( 0.000 0.000 1.643) 1.643 21.249 ( 0.000 0.000 0.784) 0.784 21.322 ( 0.000 0.000 2.031) 2.031 21.836 ( 0.000 0.000 -1.323) 1.323 21.861 ( 0.000 0.000 -7.624) 7.624 21.959 ( 0.000 0.000 -3.190) 3.190 22.017 ( 0.000 0.000 -2.221) 2.221 22.105 ( 0.000 0.000 -2.332) 2.332 22.362 ( 0.000 0.000 0.821) 0.821 22.640 ( 0.000 0.000 -4.493) 4.493 26.449 ( 0.000 0.000 2.093) 2.093 26.454 ( 0.000 0.000 2.222) 2.222 26.472 ( 0.000 0.000 2.261) 2.261 26.476 ( 0.000 0.000 1.916) 1.916 26.779 ( 0.000 0.000 1.487) 1.487 26.783 ( 0.000 0.000 2.343) 2.343 26.909 ( 0.000 0.000 0.371) 0.371 26.918 ( 0.000 0.000 0.184) 0.184 27.440 ( 0.000 0.000 1.068) 1.068 27.443 ( 0.000 0.000 1.810) 1.810 27.485 ( 0.000 0.000 2.459) 2.459 27.493 ( 0.000 0.000 2.605) 2.605 34.729 ( 0.000 0.000 0.430) 0.430 34.907 ( 0.000 0.000 6.691) 6.691 35.384 ( 0.000 0.000 2.589) 2.589 35.486 ( 0.000 0.000 -1.981) 1.981 35.731 ( 0.000 0.000 -10.689) 10.689 35.864 ( 0.000 0.000 -2.904) 2.904 35.882 ( 0.000 0.000 -2.073) 2.073 37.123 ( 0.000 0.000 -4.418) 4.418 37.150 ( 0.000 0.000 -2.800) 2.800 37.459 ( 0.000 0.000 -9.393) 9.393 37.492 ( 0.000 0.000 -9.522) 9.522 37.660 ( 0.000 0.000 5.627) 5.627 37.691 ( 0.000 0.000 5.239) 5.239 37.894 ( 0.000 0.000 5.905) 5.905 37.953 ( 0.000 0.000 2.866) 2.866 38.175 ( 0.000 0.000 13.465) 13.465 38.287 ( 0.000 0.000 -10.096) 10.096 38.330 ( 0.000 0.000 8.027) 8.027 38.345 ( 0.000 0.000 21.444) 21.444 38.841 ( 0.000 0.000 22.728) 22.728 39.014 ( 0.000 0.000 18.167) 18.167 39.124 ( 0.000 0.000 21.625) 21.625 39.395 ( 0.000 0.000 19.252) 19.252 41.853 ( 0.000 0.000 -2.628) 2.628 ======================= Grid point 16 (8/36) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 33.045 0.000 34.995) 48.131 1.593 ( 43.320 0.000 34.205) 55.195 2.325 ( 42.012 0.000 69.944) 81.591 3.337 ( 3.438 0.000 8.646) 9.305 3.471 ( 2.857 0.000 12.151) 12.483 3.588 ( -23.427 0.000 11.271) 25.998 3.594 ( 6.860 0.000 26.102) 26.988 3.847 ( 6.611 0.000 13.378) 14.922 3.932 ( -31.893 0.000 18.026) 36.634 4.341 ( -5.105 0.000 5.063) 7.190 4.502 ( -25.196 0.000 5.461) 25.781 4.629 ( -13.911 0.000 11.000) 17.735 4.939 ( -19.224 0.000 4.764) 19.806 5.068 ( 1.868 0.000 17.727) 17.826 5.171 ( -8.487 0.000 14.592) 16.880 5.410 ( 11.181 0.000 -1.029) 11.228 5.526 ( -1.097 0.000 -1.673) 2.000 5.547 ( 4.629 0.000 2.650) 5.334 5.684 ( 5.195 0.000 2.817) 5.910 5.743 ( 9.612 0.000 5.492) 11.070 5.945 ( 3.901 0.000 3.561) 5.282 6.020 ( 9.532 0.000 5.785) 11.150 6.021 ( 5.331 0.000 9.769) 11.129 6.239 ( 13.094 0.000 7.950) 15.319 6.286 ( -6.445 0.000 6.930) 9.464 6.292 ( 11.362 0.000 5.447) 12.600 6.372 ( -10.138 0.000 2.685) 10.488 6.494 ( -7.199 0.000 1.328) 7.321 6.654 ( -3.530 0.000 7.477) 8.268 6.695 ( 2.089 0.000 -2.561) 3.305 6.829 ( 11.985 0.000 8.443) 14.660 6.861 ( -4.997 0.000 0.084) 4.998 6.875 ( -2.766 0.000 0.056) 2.767 7.043 ( 1.484 0.000 4.757) 4.983 7.093 ( -2.217 0.000 -0.505) 2.274 7.154 ( 1.146 0.000 -6.972) 7.065 7.235 ( -2.824 0.000 -0.335) 2.844 7.387 ( 5.188 0.000 -4.049) 6.581 7.422 ( 1.794 0.000 4.236) 4.600 7.449 ( -4.225 0.000 0.648) 4.274 7.518 ( 9.588 0.000 -5.360) 10.984 7.648 ( -7.540 0.000 -2.671) 7.999 7.650 ( -7.534 0.000 1.743) 7.733 7.786 ( 3.761 0.000 -0.204) 3.767 7.859 ( -11.255 0.000 -1.480) 11.352 7.898 ( -1.095 0.000 -6.615) 6.705 7.952 ( 0.539 0.000 -5.539) 5.565 8.020 ( -4.190 0.000 -0.507) 4.220 8.034 ( -11.212 0.000 4.840) 12.212 8.074 ( 1.995 0.000 -2.578) 3.260 8.181 ( 6.866 0.000 -7.168) 9.926 8.244 ( 1.066 0.000 -4.050) 4.188 8.264 ( 4.119 0.000 -0.841) 4.204 8.365 ( 5.588 0.000 6.109) 8.279 8.389 ( -2.067 0.000 -0.915) 2.261 8.464 ( -1.962 0.000 3.456) 3.974 8.514 ( 2.308 0.000 2.313) 3.268 8.615 ( -0.199 0.000 -4.231) 4.236 8.749 ( 1.963 0.000 -1.650) 2.565 8.906 ( 13.306 0.000 1.141) 13.354 8.948 ( 2.153 0.000 -0.485) 2.207 9.128 ( -1.742 0.000 2.314) 2.896 9.142 ( -10.495 0.000 0.368) 10.501 9.177 ( -6.481 0.000 -8.004) 10.298 9.292 ( 2.781 0.000 -8.921) 9.345 9.325 ( -1.383 0.000 -0.834) 1.615 9.380 ( 1.796 0.000 -2.708) 3.250 9.405 ( 0.659 0.000 -8.886) 8.910 9.468 ( -0.126 0.000 5.314) 5.316 9.544 ( 1.589 0.000 -2.802) 3.221 9.610 ( -2.040 0.000 -5.546) 5.909 9.686 ( -6.281 0.000 -4.652) 7.816 9.755 ( 3.261 0.000 -4.450) 5.517 9.802 ( -2.583 0.000 -4.408) 5.109 9.862 ( -1.291 0.000 0.468) 1.373 9.910 ( 1.190 0.000 -18.063) 18.102 9.930 ( 7.040 0.000 0.271) 7.045 10.004 ( -1.179 0.000 -8.911) 8.989 10.062 ( -1.036 0.000 -7.697) 7.766 10.110 ( -5.628 0.000 -0.420) 5.643 10.220 ( 1.287 0.000 -3.697) 3.914 10.243 ( 2.990 0.000 -6.871) 7.493 10.379 ( 3.823 0.000 -2.329) 4.477 10.422 ( 5.639 0.000 -5.976) 8.216 10.480 ( 0.371 0.000 -4.704) 4.718 10.549 ( 1.824 0.000 -6.401) 6.656 10.619 ( -4.491 0.000 -1.802) 4.839 10.637 ( 1.596 0.000 -3.182) 3.560 10.696 ( -0.670 0.000 -2.145) 2.247 10.702 ( 0.842 0.000 -1.054) 1.349 10.785 ( -3.131 0.000 6.171) 6.920 10.816 ( 5.568 0.000 -7.123) 9.041 10.898 ( 0.556 0.000 -4.098) 4.136 10.902 ( -3.652 0.000 3.818) 5.283 10.938 ( -4.876 0.000 1.778) 5.190 10.941 ( 0.290 0.000 -5.255) 5.263 11.009 ( 1.022 0.000 -0.801) 1.299 11.090 ( 0.683 0.000 -6.597) 6.632 11.097 ( 5.993 0.000 7.245) 9.402 11.175 ( 0.779 0.000 1.835) 1.993 11.200 ( 5.583 0.000 6.538) 8.597 11.331 ( 2.462 0.000 8.570) 8.916 11.335 ( 2.565 0.000 1.226) 2.843 11.463 ( 3.453 0.000 -2.578) 4.309 11.489 ( 3.171 0.000 6.785) 7.490 11.537 ( -0.786 0.000 2.445) 2.568 11.605 ( 8.066 0.000 4.465) 9.220 11.657 ( -0.937 0.000 -3.582) 3.703 11.769 ( -7.860 0.000 -3.749) 8.709 11.806 ( 1.755 0.000 -0.131) 1.760 11.939 ( -8.707 0.000 11.568) 14.479 12.016 ( 10.098 0.000 -9.942) 14.171 12.086 ( 5.966 0.000 4.759) 7.632 12.205 ( 2.821 0.000 0.941) 2.973 12.223 ( 5.933 0.000 -2.022) 6.268 12.254 ( 1.238 0.000 3.349) 3.571 12.322 ( -0.265 0.000 4.602) 4.610 12.342 ( 0.342 0.000 -1.058) 1.112 12.435 ( 3.224 0.000 6.819) 7.543 12.468 ( 3.631 0.000 -1.363) 3.878 12.523 ( -2.901 0.000 7.839) 8.358 12.779 ( -6.497 0.000 3.404) 7.335 12.789 ( -11.372 0.000 -0.998) 11.415 12.935 ( -6.649 0.000 -4.704) 8.145 13.049 ( -5.187 0.000 -1.198) 5.324 13.119 ( 4.151 0.000 -2.918) 5.074 13.130 ( 6.157 0.000 -0.819) 6.211 13.195 ( 4.784 0.000 -6.237) 7.860 13.349 ( -4.124 0.000 0.819) 4.204 13.497 ( -4.437 0.000 -3.936) 5.931 13.514 ( 0.702 0.000 6.956) 6.991 13.573 ( -6.260 0.000 -2.232) 6.646 13.881 ( 10.434 0.000 -3.503) 11.006 13.943 ( 12.734 0.000 -7.749) 14.906 14.077 ( 7.129 0.000 -7.611) 10.428 14.332 ( -1.068 0.000 -3.526) 3.684 14.627 ( -2.291 0.000 -4.122) 4.716 14.638 ( -2.463 0.000 -1.107) 2.701 14.640 ( -6.754 0.000 -9.408) 11.582 14.689 ( 0.373 0.000 -1.583) 1.626 14.908 ( -3.042 0.000 0.358) 3.063 15.043 ( 1.936 0.000 -17.884) 17.988 15.140 ( 0.194 0.000 -11.942) 11.943 15.851 ( -43.948 0.000 23.240) 49.715 16.487 ( 3.066 0.000 5.673) 6.448 16.681 ( 3.641 0.000 6.122) 7.123 16.821 ( -5.730 0.000 3.870) 6.915 17.040 ( -5.783 0.000 9.110) 10.791 17.074 ( 4.539 0.000 3.898) 5.984 17.175 ( 2.130 0.000 3.687) 4.258 17.219 ( 4.960 0.000 3.811) 6.255 17.299 ( -0.731 0.000 2.291) 2.405 17.392 ( 2.736 0.000 3.982) 4.831 17.494 ( -3.748 0.000 4.882) 6.155 17.497 ( -0.642 0.000 2.386) 2.471 17.665 ( -4.504 0.000 9.481) 10.497 19.210 ( 1.221 0.000 -8.343) 8.432 19.310 ( -0.997 0.000 -7.320) 7.388 19.365 ( -0.096 0.000 -14.204) 14.205 19.395 ( -0.562 0.000 -12.090) 12.103 19.723 ( -2.914 0.000 -4.880) 5.684 19.779 ( -1.433 0.000 -9.920) 10.023 19.785 ( 0.274 0.000 -8.183) 8.187 19.842 ( -0.975 0.000 -10.565) 10.610 19.849 ( 1.365 0.000 -6.093) 6.244 19.978 ( -1.622 0.000 -6.783) 6.974 20.019 ( 1.106 0.000 -8.184) 8.258 20.064 ( -0.125 0.000 -7.897) 7.898 20.599 ( 1.845 0.000 3.605) 4.050 20.650 ( 0.378 0.000 2.654) 2.681 20.800 ( 3.294 0.000 2.177) 3.949 21.232 ( -7.439 0.000 1.360) 7.562 21.709 ( 15.749 0.000 -14.387) 21.331 21.851 ( 1.455 0.000 -1.527) 2.109 21.922 ( 3.406 0.000 -7.593) 8.322 21.952 ( -0.778 0.000 -3.051) 3.148 22.095 ( 5.740 0.000 -5.761) 8.133 22.152 ( 4.922 0.000 -6.603) 8.236 22.378 ( 2.228 0.000 -0.851) 2.385 22.613 ( -2.673 0.000 -5.294) 5.931 26.449 ( 0.122 0.000 2.067) 2.071 26.459 ( 0.289 0.000 2.087) 2.107 26.475 ( 0.057 0.000 1.853) 1.854 26.476 ( 0.046 0.000 2.059) 2.059 26.795 ( 1.574 0.000 1.466) 2.151 26.801 ( 1.689 0.000 2.097) 2.692 26.903 ( -0.717 0.000 0.525) 0.889 26.912 ( -0.791 0.000 0.432) 0.901 27.437 ( 0.058 0.000 1.447) 1.448 27.453 ( 0.690 0.000 1.510) 1.661 27.475 ( -0.700 0.000 2.267) 2.373 27.488 ( -0.496 0.000 2.530) 2.578 34.760 ( 2.905 0.000 0.848) 3.026 34.909 ( -0.025 0.000 5.774) 5.774 35.383 ( -0.114 0.000 2.442) 2.444 35.458 ( -2.474 0.000 -1.010) 2.672 35.717 ( 0.303 0.000 -11.613) 11.617 35.820 ( -1.739 0.000 -3.348) 3.772 36.399 ( 33.229 0.000 -27.098) 42.877 37.120 ( -0.237 0.000 -4.558) 4.564 37.143 ( -0.659 0.000 -3.496) 3.557 37.414 ( -4.818 0.000 -12.296) 13.206 37.546 ( 4.923 0.000 -7.389) 8.879 37.663 ( 0.946 0.000 6.945) 7.009 37.700 ( 0.844 0.000 5.195) 5.263 37.885 ( -1.607 0.000 5.427) 5.660 37.936 ( -1.487 0.000 2.511) 2.918 38.133 ( -8.643 0.000 0.058) 8.643 38.168 ( 0.119 0.000 15.304) 15.305 38.328 ( -0.845 0.000 9.031) 9.070 38.507 ( 9.608 0.000 11.436) 14.937 38.870 ( 2.634 0.000 21.799) 21.958 39.008 ( -0.775 0.000 17.894) 17.911 39.059 ( -6.203 0.000 20.362) 21.286 39.364 ( -1.877 0.000 22.924) 23.001 40.638 ( -69.028 0.000 64.798) 94.677 ======================= Grid point 17 (9/36) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 39.564 0.000 20.867) 44.730 2.392 ( 38.567 0.000 34.243) 51.576 2.916 ( -37.555 0.000 13.464) 39.895 3.152 ( -35.892 0.000 24.097) 43.231 3.404 ( 46.613 0.000 29.294) 55.053 3.548 ( 25.408 0.000 14.613) 29.311 3.671 ( 15.207 0.000 11.034) 18.788 3.807 ( 0.362 0.000 20.508) 20.511 4.037 ( -17.563 0.000 10.879) 20.659 4.047 ( -6.989 0.000 13.902) 15.560 4.149 ( 15.929 0.000 12.550) 20.279 4.292 ( -18.575 0.000 17.389) 25.444 4.542 ( -20.773 0.000 9.495) 22.840 4.737 ( -56.431 0.000 17.549) 59.097 5.048 ( 1.089 0.000 9.751) 9.811 5.105 ( -3.201 0.000 11.502) 11.939 5.718 ( 11.108 0.000 1.251) 11.178 5.794 ( 10.812 0.000 0.818) 10.843 5.829 ( 6.928 0.000 4.657) 8.348 5.877 ( 3.661 0.000 4.595) 5.875 5.888 ( -2.522 0.000 3.272) 4.131 6.063 ( -12.232 0.000 1.177) 12.288 6.145 ( 5.591 0.000 2.210) 6.012 6.295 ( 13.446 0.000 4.568) 14.201 6.314 ( -8.999 0.000 -0.632) 9.021 6.420 ( 2.050 0.000 5.561) 5.927 6.497 ( 9.338 0.000 2.620) 9.698 6.501 ( 14.269 0.000 -2.862) 14.554 6.640 ( -1.929 0.000 -2.432) 3.104 6.669 ( -1.783 0.000 -0.970) 2.029 6.916 ( -2.082 0.000 3.734) 4.275 6.953 ( -7.933 0.000 3.391) 8.628 6.966 ( 11.608 0.000 4.606) 12.489 7.090 ( 8.969 0.000 5.995) 10.788 7.142 ( 4.533 0.000 -3.792) 5.910 7.159 ( 5.749 0.000 4.248) 7.148 7.237 ( 6.323 0.000 1.608) 6.525 7.294 ( -13.748 0.000 0.828) 13.773 7.340 ( -8.650 0.000 -2.179) 8.920 7.453 ( 1.846 0.000 -0.432) 1.896 7.478 ( -11.406 0.000 3.432) 11.911 7.609 ( -12.301 0.000 -1.175) 12.357 7.647 ( 7.953 0.000 0.069) 7.953 7.703 ( 6.726 0.000 -6.552) 9.390 7.781 ( -5.340 0.000 -2.587) 5.934 7.812 ( -9.912 0.000 -0.570) 9.928 7.815 ( -2.481 0.000 -4.012) 4.717 7.840 ( -3.368 0.000 -4.892) 5.940 8.101 ( 12.057 0.000 -4.102) 12.736 8.212 ( 3.589 0.000 -4.407) 5.684 8.232 ( 2.859 0.000 0.033) 2.859 8.269 ( -3.489 0.000 -0.416) 3.514 8.285 ( -0.956 0.000 4.271) 4.376 8.386 ( -3.890 0.000 -1.243) 4.084 8.390 ( 8.747 0.000 -1.376) 8.854 8.466 ( 4.903 0.000 1.213) 5.050 8.590 ( -4.689 0.000 0.523) 4.718 8.673 ( 5.062 0.000 -3.140) 5.957 8.735 ( -12.891 0.000 2.598) 13.150 8.737 ( 3.726 0.000 -3.960) 5.438 8.905 ( -10.262 0.000 -3.084) 10.716 8.950 ( -12.041 0.000 -3.170) 12.451 9.154 ( 5.170 0.000 1.452) 5.370 9.267 ( -4.794 0.000 3.351) 5.849 9.302 ( 8.803 0.000 0.278) 8.807 9.411 ( 0.099 0.000 -2.947) 2.949 9.424 ( 8.352 0.000 -6.167) 10.382 9.444 ( 3.598 0.000 -9.554) 10.208 9.536 ( 2.178 0.000 -0.186) 2.186 9.536 ( -5.216 0.000 -8.504) 9.976 9.591 ( 4.951 0.000 5.411) 7.335 9.627 ( 4.203 0.000 -3.624) 5.550 9.726 ( -4.627 0.000 -1.931) 5.014 9.799 ( -0.204 0.000 -2.098) 2.108 9.846 ( -7.758 0.000 -4.019) 8.737 9.889 ( -3.048 0.000 -7.639) 8.225 9.921 ( 4.165 0.000 -7.658) 8.717 9.984 ( -1.755 0.000 -3.873) 4.252 10.008 ( 2.240 0.000 -8.720) 9.003 10.110 ( -4.377 0.000 -6.301) 7.672 10.232 ( 2.400 0.000 -2.894) 3.759 10.284 ( 7.144 0.000 -0.044) 7.144 10.352 ( -8.430 0.000 -3.844) 9.265 10.429 ( -4.490 0.000 -4.264) 6.192 10.558 ( 4.429 0.000 -1.552) 4.693 10.577 ( 4.007 0.000 -3.167) 5.107 10.599 ( -0.745 0.000 -1.759) 1.910 10.642 ( -0.880 0.000 -4.915) 4.993 10.717 ( 1.070 0.000 1.325) 1.702 10.743 ( -1.371 0.000 2.061) 2.475 10.766 ( 4.438 0.000 -3.530) 5.670 10.853 ( -1.150 0.000 1.550) 1.930 10.859 ( -3.598 0.000 -7.105) 7.964 10.862 ( -2.137 0.000 -2.524) 3.308 10.936 ( 3.884 0.000 -6.878) 7.899 10.973 ( 1.397 0.000 -7.255) 7.388 11.085 ( 9.516 0.000 -1.311) 9.606 11.110 ( 2.469 0.000 1.508) 2.893 11.160 ( -2.122 0.000 2.004) 2.919 11.227 ( 5.524 0.000 7.329) 9.178 11.274 ( 1.032 0.000 5.968) 6.057 11.324 ( -7.488 0.000 -1.676) 7.673 11.389 ( 3.244 0.000 -0.314) 3.259 11.450 ( -2.751 0.000 -2.628) 3.804 11.553 ( 2.688 0.000 3.358) 4.301 11.605 ( -4.409 0.000 2.155) 4.907 11.612 ( 6.077 0.000 4.568) 7.602 11.676 ( 1.892 0.000 0.646) 2.000 11.720 ( -2.327 0.000 5.883) 6.327 11.771 ( -7.160 0.000 9.311) 11.745 11.859 ( 9.005 0.000 1.011) 9.061 12.060 ( -7.819 0.000 1.517) 7.964 12.174 ( 2.838 0.000 2.982) 4.117 12.221 ( -1.697 0.000 3.105) 3.539 12.261 ( 3.705 0.000 -9.447) 10.148 12.325 ( -1.807 0.000 -9.989) 10.152 12.371 ( 7.520 0.000 1.080) 7.597 12.376 ( 5.756 0.000 1.370) 5.917 12.468 ( -2.972 0.000 4.921) 5.749 12.510 ( 4.500 0.000 7.272) 8.552 12.524 ( -6.641 0.000 -1.094) 6.730 12.633 ( -7.576 0.000 5.016) 9.086 12.678 ( 6.613 0.000 2.476) 7.062 12.817 ( -5.902 0.000 -0.939) 5.976 12.997 ( 1.777 0.000 -1.538) 2.350 13.120 ( -8.433 0.000 -2.644) 8.838 13.222 ( 5.957 0.000 -3.091) 6.711 13.254 ( 5.135 0.000 -3.029) 5.962 13.396 ( -5.058 0.000 -0.916) 5.141 13.405 ( 5.920 0.000 0.858) 5.982 13.425 ( -7.072 0.000 -0.229) 7.075 13.497 ( -2.790 0.000 4.357) 5.173 14.063 ( 7.365 0.000 -7.340) 10.398 14.138 ( 2.569 0.000 -4.058) 4.803 14.258 ( 10.338 0.000 -8.167) 13.174 14.347 ( 5.666 0.000 -7.703) 9.562 14.466 ( -10.115 0.000 -8.730) 13.362 14.514 ( -8.030 0.000 -6.058) 10.059 14.634 ( 1.232 0.000 0.411) 1.299 14.679 ( -2.366 0.000 -1.357) 2.727 14.926 ( 7.704 0.000 6.319) 9.964 15.090 ( 2.460 0.000 -16.805) 16.984 15.130 ( -1.317 0.000 -14.473) 14.533 15.221 ( -21.806 0.000 15.239) 26.604 16.574 ( 5.528 0.000 5.966) 8.133 16.697 ( -6.502 0.000 5.307) 8.393 16.780 ( 5.980 0.000 7.597) 9.668 16.909 ( -6.752 0.000 9.255) 11.457 17.166 ( 4.264 0.000 2.729) 5.063 17.218 ( 0.312 0.000 2.852) 2.869 17.289 ( 1.751 0.000 4.700) 5.015 17.331 ( 5.642 0.000 3.930) 6.876 17.387 ( -6.300 0.000 6.443) 9.011 17.435 ( -4.626 0.000 4.165) 6.224 17.470 ( 4.656 0.000 4.664) 6.590 17.566 ( -4.991 0.000 6.332) 8.063 19.242 ( 1.953 0.000 -7.988) 8.224 19.282 ( -1.836 0.000 -7.573) 7.793 19.369 ( 0.437 0.000 -14.207) 14.214 19.381 ( -0.763 0.000 -13.160) 13.182 19.719 ( 1.332 0.000 -10.079) 10.167 19.750 ( -1.542 0.000 -10.811) 10.920 19.796 ( 0.867 0.000 -9.035) 9.077 19.818 ( -1.268 0.000 -9.861) 9.942 19.892 ( 2.424 0.000 -6.395) 6.839 19.939 ( -2.248 0.000 -6.596) 6.968 20.040 ( 1.014 0.000 -7.992) 8.056 20.057 ( -0.606 0.000 -7.899) 7.922 20.635 ( 1.512 0.000 3.026) 3.383 20.653 ( -0.247 0.000 2.695) 2.707 20.902 ( 6.819 0.000 2.257) 7.183 21.062 ( -8.878 0.000 1.911) 9.081 21.883 ( 5.193 0.000 -6.956) 8.681 21.888 ( 2.092 0.000 -2.042) 2.924 21.927 ( -1.687 0.000 -2.632) 3.126 21.945 ( -1.016 0.000 -5.635) 5.726 22.174 ( 2.793 0.000 -3.273) 4.303 22.206 ( -0.137 0.000 -5.928) 5.929 22.450 ( 4.346 0.000 -5.128) 6.722 22.540 ( -4.430 0.000 -5.987) 7.448 26.454 ( 0.316 0.000 2.001) 2.026 26.460 ( -0.192 0.000 1.964) 1.973 26.475 ( 0.010 0.000 1.969) 1.969 26.476 ( -0.051 0.000 2.036) 2.037 26.836 ( 2.361 0.000 1.264) 2.678 26.843 ( 2.288 0.000 1.549) 2.763 26.879 ( -1.734 0.000 0.886) 1.947 26.885 ( -1.830 0.000 0.994) 2.083 27.444 ( 0.584 0.000 1.635) 1.736 27.459 ( -0.862 0.000 1.808) 2.003 27.467 ( 0.600 0.000 1.843) 1.939 27.477 ( -0.503 0.000 2.242) 2.298 34.831 ( 3.777 0.000 1.940) 4.246 34.892 ( -1.986 0.000 3.712) 4.210 35.384 ( 0.451 0.000 2.002) 2.052 35.408 ( -2.039 0.000 0.904) 2.230 35.738 ( 1.648 0.000 -8.886) 9.037 35.778 ( -2.258 0.000 -5.603) 6.040 36.944 ( 20.945 0.000 -28.603) 35.452 37.119 ( 0.213 0.000 -4.681) 4.686 37.128 ( -0.704 0.000 -4.384) 4.440 37.257 ( -11.296 0.000 -19.342) 22.399 37.658 ( 5.285 0.000 -1.861) 5.603 37.713 ( -0.208 0.000 4.145) 4.151 37.715 ( 4.250 0.000 7.762) 8.849 37.815 ( -5.029 0.000 6.495) 8.215 37.913 ( 0.050 0.000 0.690) 0.691 37.977 ( -6.381 0.000 -1.292) 6.510 38.203 ( 3.331 0.000 15.903) 16.248 38.281 ( -3.723 0.000 12.965) 13.489 38.703 ( 9.992 0.000 13.864) 17.090 38.898 ( -9.371 0.000 17.286) 19.663 38.928 ( 2.796 0.000 19.096) 19.300 38.978 ( -2.179 0.000 17.500) 17.635 39.403 ( 7.795 0.000 33.408) 34.306 39.729 ( -26.977 0.000 51.139) 57.818 ======================= Grid point 20 (10/36) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 36.810 30.994) 48.121 1.748 ( 0.000 42.158 36.916) 56.037 2.381 ( 0.000 -35.727 21.277) 41.582 2.537 ( 0.000 45.127 59.064) 74.330 2.659 ( 0.000 -40.548 33.596) 52.658 3.909 ( 0.000 -57.124 27.339) 63.329 4.158 ( 0.000 7.485 4.363) 8.664 4.276 ( 0.000 4.226 3.338) 5.385 4.331 ( 0.000 31.766 5.712) 32.275 4.444 ( 0.000 16.895 9.007) 19.146 4.467 ( 0.000 5.772 12.077) 13.385 4.712 ( 0.000 7.196 18.419) 19.775 4.975 ( 0.000 6.574 5.606) 8.640 5.056 ( 0.000 -12.529 6.278) 14.014 5.135 ( 0.000 -5.223 1.640) 5.474 5.186 ( 0.000 -17.530 0.468) 17.536 5.278 ( 0.000 -12.665 5.729) 13.901 5.350 ( 0.000 -18.604 8.424) 20.422 5.429 ( 0.000 -5.298 2.456) 5.840 5.450 ( 0.000 -2.406 6.265) 6.711 5.855 ( 0.000 13.997 6.881) 15.596 5.971 ( 0.000 3.406 -3.018) 4.551 5.974 ( 0.000 -0.515 13.070) 13.080 6.221 ( 0.000 -13.266 -2.154) 13.440 6.267 ( 0.000 7.755 4.873) 9.159 6.410 ( 0.000 6.064 12.409) 13.811 6.463 ( 0.000 -9.546 3.880) 10.304 6.517 ( 0.000 -4.061 4.018) 5.713 6.644 ( 0.000 3.302 3.463) 4.785 6.774 ( 0.000 -7.412 3.301) 8.114 6.835 ( 0.000 -2.279 -0.606) 2.358 6.985 ( 0.000 -12.704 -5.019) 13.659 7.012 ( 0.000 35.704 0.739) 35.712 7.126 ( 0.000 1.137 -0.169) 1.150 7.138 ( 0.000 4.596 2.374) 5.173 7.233 ( 0.000 13.089 -3.643) 13.586 7.367 ( 0.000 10.265 0.019) 10.265 7.458 ( 0.000 2.881 1.178) 3.112 7.478 ( 0.000 1.991 0.154) 1.997 7.569 ( 0.000 4.198 4.108) 5.874 7.588 ( 0.000 -3.614 2.645) 4.479 7.617 ( 0.000 3.095 -0.892) 3.221 7.727 ( 0.000 -11.274 -1.766) 11.412 7.754 ( 0.000 1.481 1.071) 1.827 7.839 ( 0.000 8.681 3.024) 9.192 7.882 ( 0.000 -3.257 -7.028) 7.746 7.989 ( 0.000 8.216 -0.526) 8.233 7.999 ( 0.000 -14.023 -4.205) 14.640 8.055 ( 0.000 8.057 1.833) 8.263 8.135 ( 0.000 2.661 -0.513) 2.710 8.145 ( 0.000 0.709 -2.010) 2.131 8.193 ( 0.000 -3.599 -6.095) 7.078 8.222 ( 0.000 -4.793 3.258) 5.795 8.248 ( 0.000 0.847 0.799) 1.164 8.309 ( 0.000 -1.962 -1.053) 2.227 8.374 ( 0.000 0.691 4.317) 4.372 8.503 ( 0.000 -4.848 1.366) 5.037 8.632 ( 0.000 -22.888 -1.497) 22.937 8.673 ( 0.000 6.599 -1.162) 6.701 8.767 ( 0.000 6.325 -2.069) 6.655 8.770 ( 0.000 -2.945 0.664) 3.019 9.003 ( 0.000 -12.378 -1.821) 12.511 9.127 ( 0.000 -3.734 -10.486) 11.131 9.149 ( 0.000 -5.558 -7.855) 9.623 9.323 ( 0.000 4.489 -2.322) 5.054 9.348 ( 0.000 0.907 1.225) 1.525 9.369 ( 0.000 4.698 -0.674) 4.746 9.503 ( 0.000 -2.462 -3.117) 3.972 9.560 ( 0.000 -1.862 -3.658) 4.105 9.586 ( 0.000 -3.184 -4.905) 5.848 9.661 ( 0.000 7.225 1.292) 7.340 9.730 ( 0.000 11.107 -4.305) 11.912 9.751 ( 0.000 1.311 -0.206) 1.327 9.790 ( 0.000 0.586 5.023) 5.057 9.819 ( 0.000 -1.379 2.326) 2.704 9.877 ( 0.000 -4.503 -7.228) 8.516 9.991 ( 0.000 4.269 -2.053) 4.737 10.046 ( 0.000 0.939 -8.373) 8.425 10.062 ( 0.000 2.765 -9.226) 9.632 10.154 ( 0.000 2.024 -8.129) 8.377 10.209 ( 0.000 3.401 -6.268) 7.131 10.214 ( 0.000 -9.958 -4.910) 11.103 10.228 ( 0.000 -1.600 -4.891) 5.146 10.240 ( 0.000 -5.821 -7.092) 9.175 10.501 ( 0.000 0.421 -6.922) 6.934 10.530 ( 0.000 -5.664 -5.117) 7.633 10.567 ( 0.000 5.916 -7.498) 9.551 10.629 ( 0.000 -2.765 -1.187) 3.009 10.711 ( 0.000 3.327 -1.858) 3.811 10.715 ( 0.000 -2.731 -3.536) 4.468 10.757 ( 0.000 1.611 -2.275) 2.787 10.873 ( 0.000 0.386 0.052) 0.390 10.881 ( 0.000 0.980 0.521) 1.110 10.898 ( 0.000 0.138 -1.849) 1.854 10.983 ( 0.000 3.708 -4.187) 5.593 11.055 ( 0.000 2.987 -3.230) 4.399 11.056 ( 0.000 0.244 0.992) 1.021 11.081 ( 0.000 2.575 5.145) 5.753 11.115 ( 0.000 -3.182 3.117) 4.454 11.161 ( 0.000 -4.810 1.973) 5.199 11.239 ( 0.000 2.141 9.265) 9.509 11.330 ( 0.000 -7.796 -0.513) 7.813 11.367 ( 0.000 16.382 0.122) 16.383 11.476 ( 0.000 5.879 3.652) 6.921 11.491 ( 0.000 2.403 0.807) 2.535 11.539 ( 0.000 1.199 4.540) 4.696 11.648 ( 0.000 -2.273 -1.063) 2.509 11.667 ( 0.000 -2.134 -0.265) 2.151 11.685 ( 0.000 9.337 2.651) 9.706 11.880 ( 0.000 0.003 0.734) 0.734 11.896 ( 0.000 -5.992 4.325) 7.389 11.958 ( 0.000 -2.709 2.017) 3.378 12.063 ( 0.000 0.779 -1.818) 1.978 12.144 ( 0.000 1.522 4.820) 5.054 12.174 ( 0.000 -4.307 -3.055) 5.280 12.253 ( 0.000 5.523 4.354) 7.033 12.317 ( 0.000 -8.362 3.800) 9.185 12.329 ( 0.000 -0.943 4.461) 4.560 12.408 ( 0.000 6.437 0.578) 6.463 12.434 ( 0.000 5.617 5.345) 7.753 12.593 ( 0.000 0.659 4.158) 4.210 12.750 ( 0.000 -12.850 -4.183) 13.514 12.897 ( 0.000 0.126 1.551) 1.556 12.944 ( 0.000 -3.807 -1.674) 4.158 12.990 ( 0.000 1.108 -1.774) 2.092 13.019 ( 0.000 -1.517 -0.974) 1.803 13.135 ( 0.000 1.543 -3.533) 3.855 13.170 ( 0.000 -0.908 -5.434) 5.509 13.462 ( 0.000 0.113 0.499) 0.511 13.465 ( 0.000 -0.292 4.535) 4.545 13.595 ( 0.000 2.429 3.351) 4.139 13.633 ( 0.000 3.414 -1.005) 3.559 13.744 ( 0.000 1.781 -0.776) 1.942 13.846 ( 0.000 -3.520 -7.772) 8.532 14.133 ( 0.000 11.173 -12.798) 16.989 14.316 ( 0.000 -3.880 -7.506) 8.449 14.665 ( 0.000 0.783 -3.708) 3.790 14.668 ( 0.000 0.021 -0.976) 0.976 14.712 ( 0.000 2.402 -6.540) 6.967 14.744 ( 0.000 0.820 -9.318) 9.354 14.957 ( 0.000 2.271 -3.816) 4.441 15.064 ( 0.000 -5.537 -8.829) 10.421 15.093 ( 0.000 8.132 -4.595) 9.340 15.561 ( 0.000 -39.346 23.629) 45.896 16.499 ( 0.000 3.477 5.291) 6.331 16.587 ( 0.000 -3.710 5.169) 6.363 16.926 ( 0.000 1.322 3.681) 3.912 16.964 ( 0.000 -2.021 3.885) 4.379 17.070 ( 0.000 2.559 4.143) 4.869 17.126 ( 0.000 -2.346 4.306) 4.904 17.226 ( 0.000 2.682 0.283) 2.697 17.282 ( 0.000 -1.861 1.105) 2.165 17.434 ( 0.000 0.899 4.904) 4.986 17.464 ( 0.000 -1.265 7.849) 7.951 17.712 ( 0.000 3.511 2.244) 4.167 17.727 ( 0.000 0.636 8.987) 9.010 19.242 ( 0.000 3.739 -8.982) 9.729 19.341 ( 0.000 -4.020 -10.343) 11.096 19.368 ( 0.000 0.699 -13.307) 13.326 19.371 ( 0.000 0.232 -13.010) 13.012 19.749 ( 0.000 -1.681 -3.710) 4.073 19.754 ( 0.000 -1.333 -7.830) 7.943 19.800 ( 0.000 -0.209 -7.705) 7.708 19.804 ( 0.000 0.043 -8.640) 8.640 19.918 ( 0.000 2.584 -9.271) 9.625 19.961 ( 0.000 -0.892 -9.620) 9.661 20.013 ( 0.000 0.288 -7.164) 7.170 20.036 ( 0.000 -1.813 -7.151) 7.377 20.677 ( 0.000 2.451 2.204) 3.296 20.732 ( 0.000 -2.016 1.681) 2.624 21.256 ( 0.000 7.911 -8.514) 11.622 21.261 ( 0.000 0.928 0.554) 1.081 21.391 ( 0.000 18.479 -12.695) 22.420 21.739 ( 0.000 -9.855 -11.525) 15.164 21.881 ( 0.000 3.340 -2.060) 3.924 21.945 ( 0.000 -1.726 -3.716) 4.097 22.051 ( 0.000 1.937 -1.159) 2.258 22.089 ( 0.000 -1.306 -1.961) 2.357 22.407 ( 0.000 4.098 1.398) 4.330 22.535 ( 0.000 -6.693 0.882) 6.751 26.455 ( 0.000 0.488 2.012) 2.070 26.459 ( 0.000 0.319 2.179) 2.202 26.468 ( 0.000 -0.326 2.274) 2.297 26.469 ( 0.000 -0.534 1.973) 2.044 26.779 ( 0.000 0.017 1.636) 1.636 26.780 ( 0.000 -0.117 2.055) 2.059 26.915 ( 0.000 0.288 0.384) 0.480 26.918 ( 0.000 -0.008 0.277) 0.277 27.439 ( 0.000 0.001 1.305) 1.305 27.441 ( 0.000 -0.114 1.655) 1.659 27.487 ( 0.000 0.142 2.484) 2.488 27.491 ( 0.000 -0.163 2.561) 2.566 34.866 ( 0.000 9.182 2.351) 9.478 35.137 ( 0.000 -14.230 2.304) 14.415 35.287 ( 0.000 18.134 -15.110) 23.604 35.483 ( 0.000 -1.540 -5.226) 5.448 35.761 ( 0.000 -0.335 -9.313) 9.319 35.799 ( 0.000 -3.894 -3.950) 5.547 36.164 ( 0.000 21.206 -3.287) 21.459 36.694 ( 0.000 -24.835 -4.907) 25.315 37.335 ( 0.000 10.566 -13.357) 17.031 37.473 ( 0.000 -2.382 -11.546) 11.789 37.647 ( 0.000 2.341 5.754) 6.212 37.681 ( 0.000 -0.954 5.367) 5.451 37.809 ( 0.000 15.466 -6.961) 16.961 37.915 ( 0.000 1.679 5.428) 5.682 37.948 ( 0.000 -0.765 3.476) 3.559 38.114 ( 0.000 -8.651 -4.759) 9.874 38.209 ( 0.000 -2.953 12.163) 12.516 38.218 ( 0.000 -3.157 19.216) 19.473 38.505 ( 0.000 7.620 7.349) 10.586 38.680 ( 0.000 -8.438 10.520) 13.487 39.087 ( 0.000 5.496 18.221) 19.031 39.194 ( 0.000 -2.101 20.160) 20.269 39.638 ( 0.000 25.463 38.414) 46.086 40.573 ( 0.000 -61.273 58.018) 84.383 ======================= Grid point 21 (11/36) ======================= q-point: ( 0.20 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 24.287 28.084 27.523) 46.217 2.058 ( 25.364 30.594 38.390) 55.256 2.489 ( 11.978 -39.120 17.357) 44.442 2.825 ( 15.360 -36.403 32.830) 51.370 2.933 ( 37.547 48.189 45.746) 76.319 3.780 ( -29.337 11.974 7.965) 32.673 3.986 ( -29.083 4.851 12.222) 31.918 4.098 ( -9.257 -13.934 10.619) 19.815 4.154 ( -0.213 -26.046 15.999) 30.568 4.282 ( -17.821 -8.479 11.935) 23.064 4.393 ( 3.962 18.998 9.569) 21.638 4.687 ( 5.017 16.929 19.550) 26.343 4.804 ( -9.954 16.671 6.225) 20.390 5.076 ( -2.207 -16.038 6.183) 17.330 5.125 ( -10.637 -6.702 3.197) 12.973 5.273 ( 0.217 2.586 7.140) 7.597 5.299 ( 0.835 -5.801 4.525) 7.404 5.382 ( 14.595 -8.437 2.676) 17.069 5.471 ( 4.811 -17.028 3.703) 18.077 5.597 ( 7.699 -11.438 2.280) 13.975 5.796 ( -4.615 4.931 12.308) 14.039 5.937 ( -5.556 3.054 -0.978) 6.415 6.043 ( 0.270 -5.618 11.086) 12.431 6.199 ( -3.618 -10.317 -2.648) 11.249 6.349 ( -2.544 4.724 6.685) 8.572 6.380 ( 8.849 6.574 3.651) 11.613 6.459 ( -2.925 -1.884 3.432) 4.887 6.583 ( 4.359 -10.468 7.122) 13.390 6.680 ( 3.357 9.234 -0.097) 9.826 6.786 ( 1.365 -1.860 -2.147) 3.151 6.847 ( -5.371 -2.035 -3.493) 6.723 6.930 ( 5.560 -6.763 2.880) 9.217 7.061 ( 2.132 22.967 1.185) 23.096 7.083 ( -2.399 13.055 2.749) 13.556 7.237 ( -2.397 7.011 -1.613) 7.583 7.245 ( 4.528 1.626 1.237) 4.968 7.309 ( 3.668 13.952 2.848) 14.705 7.348 ( -2.952 -0.349 -6.421) 7.076 7.429 ( -4.142 -1.517 4.559) 6.344 7.462 ( 0.439 3.848 1.825) 4.281 7.548 ( -4.515 -5.428 2.605) 7.525 7.604 ( -5.173 -0.864 -4.152) 6.689 7.681 ( 2.027 -1.855 -0.430) 2.781 7.737 ( -3.117 -1.210 1.938) 3.864 7.811 ( -7.073 -2.605 -2.981) 8.106 7.890 ( -4.724 0.518 2.249) 5.258 7.933 ( -0.588 -3.125 -0.223) 3.187 7.989 ( 0.555 -3.134 -1.689) 3.603 8.041 ( -1.392 -0.354 -5.883) 6.056 8.086 ( -2.519 3.622 -3.830) 5.842 8.135 ( 0.070 -3.869 0.299) 3.881 8.232 ( 3.316 2.372 -5.006) 6.456 8.287 ( 8.504 2.097 -3.637) 9.484 8.309 ( 4.079 1.922 -0.077) 4.510 8.353 ( 3.202 -3.502 0.455) 4.767 8.579 ( 2.611 5.311 0.062) 5.918 8.598 ( -0.119 -5.051 -0.983) 5.147 8.692 ( -1.930 7.874 0.470) 8.121 8.727 ( 8.677 -9.648 -0.683) 12.994 8.771 ( 0.966 -0.933 1.339) 1.897 8.855 ( 14.248 -1.664 0.363) 14.350 8.959 ( 2.433 -7.036 -0.961) 7.506 9.115 ( -1.967 -2.705 -6.138) 6.990 9.148 ( 0.057 -5.473 -6.941) 8.839 9.278 ( -0.747 0.761 -1.568) 1.896 9.312 ( -2.289 -0.831 1.353) 2.786 9.436 ( 3.453 6.804 0.508) 7.647 9.498 ( -2.768 1.326 -1.694) 3.506 9.554 ( -1.022 -0.513 -5.073) 5.200 9.606 ( -5.553 4.898 1.188) 7.499 9.608 ( -1.968 -1.196 -2.306) 3.259 9.652 ( 2.379 -1.360 -4.975) 5.680 9.699 ( -3.701 4.479 -5.390) 7.925 9.799 ( -5.337 -3.400 -4.030) 7.502 9.841 ( -0.675 0.103 -1.403) 1.560 9.902 ( 2.461 -0.671 -2.399) 3.502 9.911 ( -2.770 1.364 -5.998) 6.746 10.017 ( -4.936 1.415 -4.504) 6.830 10.047 ( -1.161 -4.085 -7.069) 8.246 10.085 ( -6.871 -3.418 -4.634) 8.965 10.166 ( 1.890 -1.064 -5.338) 5.761 10.212 ( 0.261 -0.505 -4.771) 4.805 10.224 ( 0.086 -3.319 -2.974) 4.457 10.286 ( 1.094 -9.410 -4.723) 10.585 10.493 ( 0.549 0.805 -6.679) 6.750 10.577 ( -1.053 -2.313 -3.804) 4.575 10.605 ( 4.675 -2.045 -3.545) 6.214 10.651 ( 2.341 -0.440 -0.039) 2.382 10.709 ( -0.601 6.488 -2.603) 7.017 10.731 ( 4.510 3.926 -2.442) 6.459 10.851 ( -1.806 -1.338 -5.026) 5.506 10.857 ( 5.097 8.498 -3.012) 10.357 10.874 ( -1.158 1.159 1.496) 2.219 10.907 ( 1.190 -2.597 0.759) 2.955 10.987 ( -3.754 -2.401 -0.974) 4.562 11.036 ( 4.216 3.781 -3.853) 6.849 11.053 ( 2.169 -1.300 -4.767) 5.396 11.123 ( 1.591 6.096 2.057) 6.627 11.166 ( 4.667 6.926 4.673) 9.570 11.209 ( 4.129 -6.803 -2.924) 8.478 11.265 ( 1.734 -0.782 5.251) 5.585 11.292 ( 0.107 2.263 -0.777) 2.395 11.423 ( -0.497 1.827 0.003) 1.893 11.493 ( 3.386 1.223 1.808) 4.029 11.528 ( 0.388 4.695 1.620) 4.982 11.587 ( 2.889 4.081 4.428) 6.678 11.608 ( -0.772 2.263 5.053) 5.591 11.645 ( -0.891 4.023 1.562) 4.407 11.727 ( -0.634 -3.719 0.332) 3.787 11.786 ( 0.220 -3.123 0.510) 3.172 11.907 ( -4.719 -0.649 4.949) 6.869 12.041 ( 5.452 -4.288 -0.305) 6.943 12.087 ( 1.345 -2.037 -1.724) 2.988 12.133 ( 3.344 5.118 4.113) 7.368 12.209 ( 1.296 -6.683 -2.029) 7.103 12.267 ( -0.970 -1.202 4.834) 5.075 12.293 ( 0.094 -0.591 2.297) 2.374 12.369 ( 1.423 -1.288 5.243) 5.583 12.426 ( 2.816 3.921 -1.031) 4.936 12.463 ( 3.034 3.954 3.337) 5.998 12.573 ( -0.723 2.329 4.244) 4.894 12.736 ( -0.454 -10.709 -4.880) 11.778 12.838 ( -4.631 2.696 1.155) 5.482 12.889 ( -7.769 5.221 -0.592) 9.379 12.963 ( 0.441 -5.439 -0.848) 5.522 13.030 ( -2.670 -3.170 0.425) 4.166 13.073 ( -5.593 -2.979 1.041) 6.422 13.105 ( -1.358 -6.788 -2.788) 7.463 13.428 ( 0.313 6.072 -0.077) 6.081 13.522 ( 2.082 -1.412 1.995) 3.211 13.595 ( -3.283 4.963 -1.002) 6.034 13.609 ( -0.857 2.621 1.349) 3.070 13.892 ( 11.432 0.121 -0.992) 11.476 13.934 ( 9.347 -2.721 -7.708) 12.417 14.188 ( 4.670 8.832 -11.279) 15.068 14.325 ( 0.628 -2.214 -6.259) 6.668 14.626 ( -4.440 0.821 -2.712) 5.268 14.639 ( -2.781 0.245 -3.037) 4.125 14.657 ( -4.326 1.398 -7.163) 8.485 14.700 ( -3.856 -1.148 -7.430) 8.449 14.945 ( -0.398 3.932 -3.154) 5.057 15.064 ( 0.035 -4.445 -9.770) 10.733 15.094 ( -0.149 4.449 -6.777) 8.108 15.394 ( -13.314 -22.876 17.230) 31.583 16.529 ( 3.055 3.432 5.690) 7.314 16.619 ( 3.360 -4.027 5.882) 7.880 16.855 ( -5.294 2.635 4.508) 7.436 16.934 ( -3.578 -4.376 5.771) 8.079 17.117 ( 4.092 3.009 3.769) 6.325 17.183 ( 4.366 -2.499 3.614) 6.194 17.248 ( 2.034 3.160 1.494) 4.044 17.321 ( 3.087 -2.816 1.570) 4.463 17.413 ( -1.546 3.120 5.940) 6.886 17.467 ( -0.209 -1.546 6.267) 6.459 17.598 ( -8.560 4.421 5.801) 11.246 17.657 ( -6.447 -1.104 7.740) 10.134 19.248 ( 0.615 3.233 -8.936) 9.523 19.335 ( -0.842 -2.040 -10.343) 10.576 19.344 ( -1.481 -0.552 -10.900) 11.014 19.363 ( -0.985 -0.641 -13.100) 13.152 19.730 ( -0.449 0.991 -6.939) 7.024 19.763 ( 0.569 -1.541 -8.697) 8.850 19.788 ( -0.764 0.738 -8.883) 8.947 19.811 ( 0.035 -1.011 -9.083) 9.140 19.920 ( 0.523 3.316 -8.827) 9.444 19.973 ( 0.656 -0.823 -8.370) 8.436 20.004 ( -0.523 -0.055 -7.433) 7.452 20.034 ( -0.233 -2.028 -7.297) 7.577 20.689 ( 1.167 3.063 2.240) 3.970 20.758 ( 2.590 -2.308 1.766) 3.893 20.906 ( -11.231 16.113 0.599) 19.650 21.162 ( -9.840 -6.641 0.933) 11.908 21.739 ( 12.245 2.896 -12.482) 17.724 21.835 ( 5.946 -5.157 -8.917) 11.894 21.897 ( 1.394 3.125 -2.360) 4.157 21.950 ( 0.259 -1.155 -3.965) 4.138 22.130 ( 5.709 1.523 -3.545) 6.891 22.151 ( 6.522 -0.320 -6.075) 8.919 22.395 ( -1.067 2.697 0.403) 2.928 22.510 ( -2.387 -6.644 -0.473) 7.076 26.456 ( 0.141 0.514 2.012) 2.082 26.463 ( 0.315 0.310 2.020) 2.068 26.469 ( 0.047 -0.479 1.984) 2.041 26.472 ( 0.211 -0.311 2.054) 2.088 26.798 ( 1.815 0.199 1.522) 2.377 26.801 ( 1.857 -0.064 1.756) 2.557 26.908 ( -0.772 0.288 0.543) 0.987 26.911 ( -0.775 -0.048 0.498) 0.922 27.440 ( 0.153 0.205 1.518) 1.540 27.447 ( 0.457 -0.406 1.594) 1.708 27.476 ( -0.793 0.182 2.446) 2.577 27.483 ( -0.677 -0.337 2.513) 2.625 34.885 ( 1.919 9.116 2.179) 9.568 35.123 ( -5.229 5.533 -1.514) 7.762 35.161 ( -1.861 -4.937 1.093) 5.388 35.378 ( -7.359 -6.935 -3.173) 10.598 35.835 ( 7.169 9.686 -10.084) 15.713 36.105 ( 10.043 2.216 -10.356) 14.595 36.161 ( 7.198 3.445 -7.609) 11.026 36.669 ( -2.552 -25.204 -5.571) 25.938 37.383 ( 4.677 11.810 -14.460) 19.247 37.526 ( 4.909 -2.331 -9.756) 11.167 37.666 ( 1.877 1.829 6.231) 6.760 37.691 ( 0.623 -0.424 5.058) 5.114 37.751 ( -4.166 13.325 -5.855) 15.139 37.913 ( -1.807 2.442 2.964) 4.245 37.920 ( -2.303 -1.712 2.997) 4.149 38.040 ( -5.486 -6.419 -2.343) 8.763 38.199 ( 2.283 3.309 17.448) 17.906 38.332 ( 6.461 -5.926 10.355) 13.568 38.506 ( -0.266 5.465 8.703) 10.280 38.682 ( -0.237 -9.132 9.384) 13.096 39.089 ( 0.409 5.893 19.666) 20.534 39.195 ( 0.635 -0.894 23.048) 23.074 39.508 ( -11.098 18.667 36.311) 42.310 40.114 ( -33.528 -32.772 59.062) 75.409 ======================= Grid point 22 (12/36) ======================= q-point: ( 0.40 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 36.869 17.484 19.302) 45.140 2.643 ( 32.214 20.022 33.373) 50.521 2.880 ( 26.239 -28.759 15.075) 41.747 3.073 ( -29.165 9.552 14.634) 34.000 3.244 ( 13.097 -24.021 25.758) 37.577 3.330 ( -34.356 12.770 22.999) 43.271 3.509 ( -27.418 -19.117 11.718) 35.420 3.744 ( -12.684 -10.648 20.326) 26.218 3.916 ( 34.290 20.552 25.444) 47.388 4.327 ( 8.537 22.737 8.871) 25.856 4.505 ( -13.890 22.331 9.513) 27.966 4.726 ( 15.000 10.298 6.090) 19.187 4.820 ( -24.897 3.820 8.856) 26.699 4.994 ( 13.371 -3.185 17.666) 22.383 5.036 ( -5.627 -0.825 7.699) 9.572 5.109 ( -4.902 -5.667 9.876) 12.397 5.204 ( -7.276 7.045 11.389) 15.241 5.417 ( -10.919 -15.161 8.585) 20.562 5.604 ( 2.303 -23.195 7.093) 24.365 5.672 ( 8.365 -10.637 4.300) 14.199 5.788 ( 1.331 -4.193 7.256) 8.485 5.831 ( -3.493 -8.151 -1.210) 8.950 5.962 ( -3.120 -11.536 7.721) 14.228 6.045 ( -6.533 -17.934 1.701) 19.163 6.395 ( -1.192 3.494 1.146) 3.865 6.421 ( 5.067 -1.643 -0.383) 5.341 6.480 ( -5.361 -3.467 -1.320) 6.519 6.538 ( -4.126 -7.359 2.835) 8.900 6.734 ( 5.728 15.498 -2.967) 16.787 6.836 ( 3.429 0.576 -1.655) 3.851 6.935 ( 9.279 2.163 0.434) 9.538 7.031 ( 4.133 13.525 -0.976) 14.176 7.069 ( -1.256 2.048 -0.675) 2.496 7.169 ( 1.073 0.407 -3.424) 3.611 7.199 ( -6.585 5.124 -1.055) 8.410 7.247 ( 11.613 5.262 3.385) 13.191 7.361 ( 1.750 7.174 3.787) 8.299 7.385 ( -4.748 4.083 -3.248) 7.054 7.426 ( 2.375 3.276 -0.782) 4.122 7.466 ( 0.835 0.668 -0.595) 1.224 7.507 ( 1.423 5.721 1.232) 6.022 7.566 ( -12.303 -5.040 -1.903) 13.431 7.617 ( 5.504 -8.150 -0.464) 9.845 7.671 ( -1.620 -3.244 2.910) 4.649 7.753 ( 2.352 0.710 0.816) 2.589 7.851 ( -2.164 -0.160 -0.633) 2.260 7.869 ( -1.910 1.475 2.276) 3.318 7.896 ( -8.094 2.031 -1.531) 8.485 8.024 ( 3.419 2.070 -8.061) 8.997 8.139 ( -3.853 3.917 -4.675) 7.214 8.186 ( 7.507 -9.754 -2.275) 12.517 8.306 ( 3.739 4.817 0.117) 6.099 8.334 ( -3.369 -4.461 -3.922) 6.830 8.359 ( 1.770 6.646 -1.257) 6.991 8.465 ( -0.002 -1.804 -0.603) 1.903 8.493 ( -0.995 0.301 0.318) 1.087 8.626 ( 2.899 7.605 2.236) 8.441 8.700 ( 8.154 0.033 -0.683) 8.182 8.742 ( 1.949 1.940 -1.417) 3.094 8.876 ( -2.733 -3.698 -0.467) 4.622 8.908 ( -5.862 9.326 -2.392) 11.272 8.945 ( -6.177 5.265 -2.460) 8.481 9.095 ( 2.188 -5.451 -4.406) 7.342 9.225 ( -4.086 -10.572 0.229) 11.337 9.325 ( 5.253 2.031 0.683) 5.674 9.362 ( 6.239 -2.101 -1.068) 6.669 9.384 ( -3.272 1.273 -0.733) 3.587 9.430 ( -3.310 -0.380 -2.052) 3.913 9.550 ( 3.469 0.616 0.945) 3.648 9.581 ( 2.152 -0.518 -1.828) 2.871 9.592 ( 2.488 1.636 -5.275) 6.057 9.664 ( -2.751 -0.439 -1.962) 3.407 9.675 ( 0.147 -0.755 -1.114) 1.354 9.728 ( 1.117 -2.402 -0.808) 2.769 9.793 ( -6.391 -3.185 -3.399) 7.909 9.862 ( -3.779 -3.463 -4.011) 6.508 9.879 ( -0.443 -2.858 -5.241) 5.986 9.925 ( -3.649 4.117 -6.283) 8.351 9.996 ( 2.089 -3.076 -7.260) 8.157 10.073 ( -1.291 -7.045 -4.872) 8.662 10.170 ( -1.731 0.005 -6.154) 6.393 10.198 ( -0.538 -2.352 -4.846) 5.414 10.249 ( 3.050 -5.162 -2.196) 6.385 10.312 ( -0.771 -9.038 -4.574) 10.159 10.498 ( 2.756 2.402 -1.433) 3.926 10.549 ( -1.379 -2.077 -3.987) 4.702 10.605 ( -1.968 0.249 0.908) 2.182 10.642 ( -4.426 -2.542 1.297) 5.266 10.794 ( 5.276 5.564 -1.226) 7.766 10.817 ( 3.786 4.759 -6.601) 8.975 10.835 ( -0.173 2.980 -0.842) 3.102 10.878 ( -0.488 2.791 -2.929) 4.076 10.911 ( 3.995 0.410 -6.742) 7.847 10.950 ( 1.825 -0.640 2.702) 3.322 10.972 ( -0.225 3.256 -5.345) 6.263 11.040 ( -3.523 -1.994 -4.422) 5.995 11.128 ( 6.309 5.184 1.273) 8.264 11.191 ( 3.896 8.630 -3.344) 10.041 11.222 ( 0.653 7.677 0.038) 7.705 11.279 ( -0.639 2.872 0.580) 2.999 11.300 ( 4.224 -1.244 1.137) 4.548 11.339 ( 0.983 0.526 3.173) 3.363 11.374 ( -0.641 -4.275 -2.649) 5.070 11.452 ( -6.163 -1.959 -0.311) 6.475 11.560 ( 0.146 -0.389 4.042) 4.064 11.576 ( 3.258 -2.013 5.012) 6.308 11.608 ( -2.830 0.712 -0.410) 2.947 11.667 ( -0.822 1.557 7.812) 8.008 11.715 ( 1.073 1.647 3.864) 4.335 11.786 ( -3.383 8.570 0.764) 9.245 11.890 ( 7.412 -4.582 -0.711) 8.743 12.040 ( -5.088 -8.978 -3.436) 10.876 12.145 ( 1.878 0.091 4.003) 4.423 12.174 ( -0.812 0.592 3.640) 3.776 12.203 ( -1.246 -2.855 1.748) 3.572 12.216 ( -0.833 -3.377 0.516) 3.516 12.383 ( 5.811 1.711 -0.155) 6.059 12.420 ( 5.909 0.081 2.252) 6.324 12.466 ( -0.658 2.558 -2.648) 3.740 12.514 ( 0.231 -0.687 3.617) 3.689 12.636 ( 6.351 3.528 3.919) 8.255 12.725 ( -1.506 0.592 -3.062) 3.464 12.730 ( -5.396 7.353 -0.263) 9.124 12.774 ( -2.111 0.533 -0.035) 2.177 12.927 ( -4.113 -2.615 -0.630) 4.914 12.936 ( -3.050 -6.237 -1.334) 7.070 13.027 ( 0.735 -11.014 4.366) 11.871 13.073 ( -2.763 -13.444 0.497) 13.734 13.461 ( 2.638 8.063 -0.165) 8.485 13.521 ( -3.114 6.410 0.029) 7.126 13.556 ( 0.857 0.993 1.451) 1.956 13.578 ( -1.383 2.382 1.642) 3.207 14.104 ( 9.300 2.474 -4.401) 10.582 14.158 ( 9.601 -0.863 -4.984) 10.852 14.255 ( 0.528 2.123 -4.671) 5.158 14.330 ( -0.850 -2.663 -6.319) 6.909 14.503 ( -4.847 4.338 -7.863) 10.205 14.543 ( -5.690 2.655 -6.616) 9.121 14.608 ( -0.949 -2.683 -4.359) 5.206 14.626 ( -2.606 -4.495 -3.110) 6.056 14.978 ( 4.313 4.201 -0.542) 6.045 15.065 ( -0.497 -3.780 -9.360) 10.107 15.084 ( -0.587 -0.027 -9.720) 9.737 15.146 ( -9.786 -4.929 3.921) 11.638 16.617 ( 5.558 3.556 6.190) 9.047 16.715 ( 5.742 -4.443 6.933) 10.039 16.738 ( -6.108 3.314 5.796) 9.049 16.836 ( -5.886 -4.799 7.257) 10.504 17.210 ( 4.860 3.264 3.114) 6.631 17.259 ( 1.537 2.215 2.992) 4.027 17.299 ( 3.523 -1.622 3.239) 5.053 17.359 ( -0.829 -2.301 4.013) 4.700 17.390 ( -0.218 3.720 5.107) 6.322 17.433 ( -4.538 3.280 5.352) 7.746 17.471 ( -0.644 -1.097 6.913) 7.029 17.527 ( -5.306 -3.369 6.035) 8.713 19.267 ( 1.369 2.201 -8.844) 9.216 19.300 ( -1.874 1.521 -9.062) 9.378 19.334 ( 0.015 -3.225 -11.242) 11.695 19.342 ( -0.841 -2.004 -12.084) 12.278 19.741 ( 1.230 1.714 -9.902) 10.124 19.766 ( -1.057 1.335 -10.333) 10.472 19.782 ( 0.899 -1.407 -9.618) 9.761 19.802 ( -0.890 -1.307 -10.020) 10.144 19.940 ( 1.333 3.228 -7.608) 8.372 19.967 ( -1.166 2.217 -7.097) 7.526 20.009 ( 0.834 -2.386 -8.024) 8.413 20.025 ( -0.677 -2.386 -7.618) 8.012 20.721 ( 1.972 5.264 2.366) 6.099 20.771 ( -3.264 9.627 2.236) 10.408 20.844 ( 5.102 -4.540 2.268) 7.196 20.978 ( -8.151 -7.159 1.889) 11.012 21.884 ( 4.317 0.886 -6.211) 7.616 21.911 ( 1.853 -0.977 -4.941) 5.366 21.924 ( 0.867 1.345 -3.598) 3.938 21.943 ( -1.258 -0.293 -4.880) 5.048 22.229 ( 3.897 4.090 -3.365) 6.576 22.257 ( 2.031 4.100 -5.184) 6.914 22.384 ( 1.006 -4.224 -3.417) 5.525 22.444 ( -3.936 -6.840 -3.323) 8.563 26.460 ( 0.285 0.476 1.978) 2.055 26.465 ( -0.148 0.383 1.937) 1.980 26.471 ( 0.117 -0.386 1.975) 2.016 26.473 ( -0.077 -0.260 1.992) 2.010 26.842 ( 2.345 0.318 1.198) 2.653 26.845 ( 2.317 0.068 1.399) 2.707 26.883 ( -1.707 0.282 0.894) 1.947 26.886 ( -1.744 0.024 0.934) 1.979 27.446 ( 0.534 0.278 1.754) 1.854 27.457 ( 0.490 -0.564 1.838) 1.984 27.460 ( -0.734 0.112 2.097) 2.224 27.469 ( -0.648 -0.557 2.277) 2.432 34.940 ( 3.418 8.708 2.022) 9.571 35.016 ( -4.330 9.683 1.479) 10.710 35.184 ( 2.328 -12.060 1.698) 12.400 35.253 ( -4.836 -10.186 -0.148) 11.277 35.968 ( 5.832 16.885 -8.311) 19.702 36.067 ( -4.169 20.101 -5.847) 21.346 36.437 ( 10.823 -24.345 -12.046) 29.239 36.591 ( -5.389 -25.819 -7.857) 27.521 37.502 ( 6.685 12.465 -13.520) 19.567 37.627 ( -4.419 9.068 -7.167) 12.374 37.642 ( 4.170 -0.482 -4.831) 6.400 37.701 ( 0.162 -0.495 4.541) 4.571 37.752 ( 3.604 3.994 3.714) 6.537 37.839 ( -4.675 2.207 3.417) 6.197 37.880 ( -0.725 -3.058 0.638) 3.207 37.931 ( -5.050 -3.750 -1.635) 6.499 38.285 ( 5.795 7.627 14.560) 17.428 38.391 ( -2.999 8.070 8.853) 12.349 38.534 ( 5.249 -10.322 12.037) 16.703 38.644 ( -4.123 -11.162 8.934) 14.880 39.120 ( 3.362 8.956 23.711) 25.568 39.216 ( -2.762 11.200 29.815) 31.969 39.337 ( 0.882 -3.030 31.538) 31.696 39.568 ( -19.696 -12.556 44.313) 50.092 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.000 0.000 46.878) 46.878 1.996 ( 0.000 0.000 48.557) 48.557 3.520 ( 0.000 0.000 12.535) 12.535 3.576 ( 0.000 0.000 68.569) 68.569 3.846 ( 0.000 0.000 24.024) 24.024 4.012 ( 0.000 0.000 21.817) 21.817 4.101 ( 0.000 0.000 26.448) 26.448 4.215 ( 0.000 0.000 9.133) 9.133 4.394 ( 0.000 0.000 7.517) 7.517 4.736 ( 0.000 0.000 18.732) 18.732 4.801 ( 0.000 0.000 9.724) 9.724 4.990 ( 0.000 0.000 4.640) 4.640 5.318 ( 0.000 0.000 -2.231) 2.231 5.326 ( 0.000 0.000 13.511) 13.511 5.406 ( 0.000 0.000 7.034) 7.034 5.521 ( 0.000 0.000 1.451) 1.451 5.525 ( 0.000 0.000 10.411) 10.411 5.554 ( 0.000 0.000 22.151) 22.151 5.676 ( 0.000 0.000 10.466) 10.466 5.744 ( 0.000 0.000 4.129) 4.129 6.141 ( 0.000 0.000 13.603) 13.603 6.194 ( 0.000 0.000 21.018) 21.018 6.235 ( 0.000 0.000 3.185) 3.185 6.297 ( 0.000 0.000 17.856) 17.856 6.306 ( 0.000 0.000 13.700) 13.700 6.320 ( 0.000 0.000 -5.248) 5.248 6.630 ( 0.000 0.000 16.925) 16.925 6.679 ( 0.000 0.000 0.986) 0.986 6.688 ( 0.000 0.000 4.098) 4.098 6.709 ( 0.000 0.000 6.838) 6.838 6.822 ( 0.000 0.000 4.685) 4.685 6.953 ( 0.000 0.000 -1.344) 1.344 7.013 ( 0.000 0.000 -0.529) 0.529 7.097 ( 0.000 0.000 -5.152) 5.152 7.138 ( 0.000 0.000 5.384) 5.384 7.142 ( 0.000 0.000 -1.078) 1.078 7.212 ( 0.000 0.000 -3.042) 3.042 7.312 ( 0.000 0.000 -4.376) 4.376 7.543 ( 0.000 0.000 3.522) 3.522 7.561 ( 0.000 0.000 -20.953) 20.953 7.596 ( 0.000 0.000 5.695) 5.695 7.609 ( 0.000 0.000 -6.226) 6.226 7.637 ( 0.000 0.000 8.749) 8.749 7.716 ( 0.000 0.000 14.228) 14.228 7.785 ( 0.000 0.000 -3.496) 3.496 7.811 ( 0.000 0.000 -1.119) 1.119 7.837 ( 0.000 0.000 -6.281) 6.281 7.857 ( 0.000 0.000 -9.172) 9.172 8.010 ( 0.000 0.000 1.939) 1.939 8.045 ( 0.000 0.000 -10.905) 10.905 8.102 ( 0.000 0.000 4.313) 4.313 8.131 ( 0.000 0.000 -1.470) 1.470 8.258 ( 0.000 0.000 5.509) 5.509 8.417 ( 0.000 0.000 1.275) 1.275 8.455 ( 0.000 0.000 -3.601) 3.601 8.517 ( 0.000 0.000 -3.072) 3.072 8.542 ( 0.000 0.000 -0.066) 0.066 8.621 ( 0.000 0.000 2.728) 2.728 8.667 ( 0.000 0.000 1.019) 1.019 8.778 ( 0.000 0.000 -4.696) 4.696 8.838 ( 0.000 0.000 -4.108) 4.108 8.860 ( 0.000 0.000 -19.275) 19.275 9.109 ( 0.000 0.000 -4.279) 4.279 9.133 ( 0.000 0.000 -4.787) 4.787 9.174 ( 0.000 0.000 -11.711) 11.711 9.289 ( 0.000 0.000 -2.042) 2.042 9.297 ( 0.000 0.000 -0.322) 0.322 9.314 ( 0.000 0.000 -2.729) 2.729 9.475 ( 0.000 0.000 -2.876) 2.876 9.534 ( 0.000 0.000 -17.408) 17.408 9.559 ( 0.000 0.000 -3.303) 3.303 9.588 ( 0.000 0.000 0.971) 0.971 9.616 ( 0.000 0.000 0.587) 0.587 9.785 ( 0.000 0.000 -3.118) 3.118 9.786 ( 0.000 0.000 -6.069) 6.069 9.816 ( 0.000 0.000 -3.217) 3.217 9.840 ( 0.000 0.000 -8.263) 8.263 9.895 ( 0.000 0.000 -1.709) 1.709 9.995 ( 0.000 0.000 4.369) 4.369 10.062 ( 0.000 0.000 -5.787) 5.787 10.074 ( 0.000 0.000 -3.744) 3.744 10.119 ( 0.000 0.000 -7.906) 7.906 10.187 ( 0.000 0.000 2.638) 2.638 10.285 ( 0.000 0.000 -12.140) 12.140 10.331 ( 0.000 0.000 -5.033) 5.033 10.338 ( 0.000 0.000 -4.337) 4.337 10.538 ( 0.000 0.000 -6.988) 6.988 10.556 ( 0.000 0.000 -7.149) 7.149 10.558 ( 0.000 0.000 -4.123) 4.123 10.661 ( 0.000 0.000 -10.427) 10.427 10.729 ( 0.000 0.000 -4.999) 4.999 10.785 ( 0.000 0.000 5.421) 5.421 10.809 ( 0.000 0.000 -2.411) 2.411 10.867 ( 0.000 0.000 -4.883) 4.883 10.974 ( 0.000 0.000 0.624) 0.624 11.009 ( 0.000 0.000 2.520) 2.520 11.021 ( 0.000 0.000 1.071) 1.071 11.043 ( 0.000 0.000 -1.413) 1.413 11.165 ( 0.000 0.000 5.992) 5.992 11.207 ( 0.000 0.000 -1.688) 1.688 11.357 ( 0.000 0.000 4.980) 4.980 11.383 ( 0.000 0.000 0.385) 0.385 11.482 ( 0.000 0.000 6.019) 6.019 11.521 ( 0.000 0.000 16.896) 16.896 11.568 ( 0.000 0.000 7.283) 7.283 11.569 ( 0.000 0.000 -4.704) 4.704 11.592 ( 0.000 0.000 -0.206) 0.206 11.655 ( 0.000 0.000 9.755) 9.755 11.698 ( 0.000 0.000 0.883) 0.883 11.776 ( 0.000 0.000 -1.473) 1.473 11.822 ( 0.000 0.000 -1.216) 1.216 12.063 ( 0.000 0.000 4.321) 4.321 12.180 ( 0.000 0.000 4.164) 4.164 12.183 ( 0.000 0.000 -6.692) 6.692 12.272 ( 0.000 0.000 4.197) 4.197 12.338 ( 0.000 0.000 3.648) 3.648 12.361 ( 0.000 0.000 7.780) 7.780 12.428 ( 0.000 0.000 -2.788) 2.788 12.482 ( 0.000 0.000 2.080) 2.080 12.502 ( 0.000 0.000 10.219) 10.219 12.702 ( 0.000 0.000 4.259) 4.259 12.856 ( 0.000 0.000 -4.807) 4.807 12.873 ( 0.000 0.000 -7.842) 7.842 12.884 ( 0.000 0.000 -4.808) 4.808 12.977 ( 0.000 0.000 -0.817) 0.817 13.052 ( 0.000 0.000 4.064) 4.064 13.053 ( 0.000 0.000 -0.237) 0.237 13.066 ( 0.000 0.000 -0.984) 0.984 13.423 ( 0.000 0.000 -6.743) 6.743 13.443 ( 0.000 0.000 -0.662) 0.662 13.498 ( 0.000 0.000 -7.281) 7.281 13.567 ( 0.000 0.000 -3.660) 3.660 13.687 ( 0.000 0.000 -1.144) 1.144 13.731 ( 0.000 0.000 -4.732) 4.732 13.827 ( 0.000 0.000 -9.135) 9.135 14.346 ( 0.000 0.000 -0.236) 0.236 14.379 ( 0.000 0.000 -23.885) 23.885 14.418 ( 0.000 0.000 -13.305) 13.305 14.592 ( 0.000 0.000 -6.901) 6.901 14.650 ( 0.000 0.000 -16.228) 16.228 14.673 ( 0.000 0.000 -0.524) 0.524 14.827 ( 0.000 0.000 -19.359) 19.359 14.970 ( 0.000 0.000 2.273) 2.273 16.338 ( 0.000 0.000 -20.700) 20.700 16.602 ( 0.000 0.000 8.636) 8.636 16.778 ( 0.000 0.000 7.257) 7.257 16.965 ( 0.000 0.000 4.213) 4.213 17.100 ( 0.000 0.000 4.668) 4.668 17.137 ( 0.000 0.000 7.122) 7.122 17.233 ( 0.000 0.000 4.081) 4.081 17.292 ( 0.000 0.000 3.964) 3.964 17.363 ( 0.000 0.000 3.550) 3.550 17.468 ( 0.000 0.000 5.901) 5.901 17.479 ( 0.000 0.000 2.787) 2.787 17.626 ( 0.000 0.000 5.208) 5.208 17.927 ( 0.000 0.000 8.374) 8.374 18.991 ( 0.000 0.000 -10.934) 10.934 19.042 ( 0.000 0.000 -17.855) 17.855 19.118 ( 0.000 0.000 -15.490) 15.490 19.132 ( 0.000 0.000 -10.689) 10.689 19.531 ( 0.000 0.000 -14.529) 14.529 19.602 ( 0.000 0.000 -12.946) 12.946 19.614 ( 0.000 0.000 -11.690) 11.690 19.615 ( 0.000 0.000 -8.014) 8.014 19.747 ( 0.000 0.000 -12.292) 12.292 19.798 ( 0.000 0.000 -12.073) 12.073 19.875 ( 0.000 0.000 -10.173) 10.173 19.951 ( 0.000 0.000 -0.105) 0.105 20.655 ( 0.000 0.000 3.509) 3.509 20.696 ( 0.000 0.000 2.135) 2.135 20.834 ( 0.000 0.000 4.158) 4.158 21.265 ( 0.000 0.000 0.710) 0.710 21.370 ( 0.000 0.000 2.528) 2.528 21.726 ( 0.000 0.000 -5.417) 5.417 21.805 ( 0.000 0.000 -1.621) 1.621 21.885 ( 0.000 0.000 -3.779) 3.779 21.943 ( 0.000 0.000 -4.548) 4.548 22.045 ( 0.000 0.000 -3.392) 3.392 22.353 ( 0.000 0.000 -1.758) 1.758 22.523 ( 0.000 0.000 -6.805) 6.805 26.497 ( 0.000 0.000 2.539) 2.539 26.506 ( 0.000 0.000 2.720) 2.720 26.526 ( 0.000 0.000 2.882) 2.882 26.526 ( 0.000 0.000 2.896) 2.896 26.820 ( 0.000 0.000 2.478) 2.478 26.841 ( 0.000 0.000 3.088) 3.088 26.919 ( 0.000 0.000 0.508) 0.508 26.924 ( 0.000 0.000 0.389) 0.389 27.471 ( 0.000 0.000 1.933) 1.933 27.489 ( 0.000 0.000 2.558) 2.558 27.542 ( 0.000 0.000 2.955) 2.955 27.548 ( 0.000 0.000 2.662) 2.662 34.759 ( 0.000 0.000 2.548) 2.548 35.081 ( 0.000 0.000 10.428) 10.428 35.426 ( 0.000 0.000 -3.017) 3.017 35.462 ( 0.000 0.000 4.218) 4.218 35.520 ( 0.000 0.000 -9.135) 9.135 35.783 ( 0.000 0.000 -4.984) 4.984 35.842 ( 0.000 0.000 -1.262) 1.262 37.016 ( 0.000 0.000 -5.743) 5.743 37.077 ( 0.000 0.000 -4.327) 4.327 37.190 ( 0.000 0.000 -16.284) 16.284 37.284 ( 0.000 0.000 -10.292) 10.292 37.802 ( 0.000 0.000 2.183) 2.183 37.820 ( 0.000 0.000 10.126) 10.126 38.056 ( 0.000 0.000 9.016) 9.016 38.078 ( 0.000 0.000 -7.363) 7.363 38.079 ( 0.000 0.000 8.585) 8.585 38.535 ( 0.000 0.000 21.728) 21.728 38.621 ( 0.000 0.000 19.266) 19.266 38.856 ( 0.000 0.000 28.445) 28.445 39.377 ( 0.000 0.000 28.618) 28.618 39.430 ( 0.000 0.000 21.981) 21.981 39.594 ( 0.000 0.000 23.465) 23.465 39.860 ( 0.000 0.000 24.839) 24.839 41.781 ( 0.000 0.000 -4.388) 4.388 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 19.090 0.000 42.949) 47.001 2.312 ( 33.899 0.000 38.021) 50.939 3.571 ( 5.411 0.000 14.085) 15.088 3.757 ( 18.314 0.000 62.447) 65.078 3.830 ( -3.742 0.000 22.070) 22.385 3.868 ( -18.548 0.000 17.341) 25.392 4.147 ( 0.626 0.000 25.010) 25.018 4.182 ( 11.429 0.000 18.567) 21.803 4.360 ( -19.642 0.000 22.405) 29.796 4.477 ( -0.061 0.000 7.921) 7.921 4.679 ( -20.859 0.000 11.389) 23.765 4.877 ( -6.341 0.000 13.292) 14.727 5.067 ( -20.439 0.000 8.384) 22.092 5.437 ( 0.570 0.000 2.221) 2.294 5.445 ( -8.242 0.000 17.549) 19.388 5.462 ( 13.670 0.000 -1.029) 13.709 5.488 ( -5.896 0.000 10.928) 12.418 5.647 ( 11.370 0.000 9.263) 14.665 5.822 ( 7.728 0.000 8.893) 11.782 5.885 ( 8.540 0.000 8.308) 11.914 6.075 ( -3.547 0.000 7.366) 8.175 6.210 ( 7.942 0.000 12.377) 14.706 6.257 ( -4.107 0.000 6.481) 7.673 6.300 ( 3.622 0.000 2.849) 4.608 6.340 ( 0.165 0.000 5.665) 5.667 6.498 ( 14.495 0.000 10.954) 18.169 6.516 ( -9.423 0.000 9.988) 13.731 6.583 ( -7.493 0.000 4.208) 8.594 6.740 ( -2.133 0.000 8.461) 8.726 6.795 ( -1.656 0.000 6.885) 7.081 6.852 ( 1.727 0.000 -0.631) 1.839 6.937 ( 8.984 0.000 6.994) 11.385 7.040 ( -13.395 0.000 12.840) 18.555 7.048 ( 5.306 0.000 -2.961) 6.077 7.085 ( -3.817 0.000 0.016) 3.817 7.193 ( 2.871 0.000 6.403) 7.017 7.242 ( 1.985 0.000 1.328) 2.388 7.321 ( 0.567 0.000 4.341) 4.378 7.364 ( 6.505 0.000 -7.266) 9.752 7.504 ( -4.572 0.000 0.916) 4.663 7.540 ( -4.185 0.000 2.964) 5.128 7.564 ( -3.409 0.000 -5.824) 6.748 7.593 ( -1.150 0.000 -16.350) 16.391 7.679 ( -7.158 0.000 1.038) 7.232 7.733 ( 3.508 0.000 -3.676) 5.081 7.831 ( -4.374 0.000 -7.001) 8.255 7.855 ( -10.262 0.000 1.381) 10.355 7.900 ( -1.360 0.000 -7.777) 7.895 7.964 ( 8.701 0.000 -8.953) 12.484 8.103 ( 3.339 0.000 0.823) 3.439 8.117 ( 6.953 0.000 -7.822) 10.466 8.226 ( -5.861 0.000 8.327) 10.183 8.269 ( 6.809 0.000 2.619) 7.295 8.378 ( -5.925 0.000 -0.407) 5.939 8.452 ( -2.862 0.000 -0.862) 2.989 8.494 ( 0.241 0.000 1.671) 1.688 8.551 ( -4.539 0.000 0.589) 4.577 8.559 ( -3.299 0.000 -5.474) 6.391 8.765 ( 7.462 0.000 3.715) 8.335 8.873 ( 1.556 0.000 -18.858) 18.922 8.882 ( 10.689 0.000 -3.668) 11.301 8.918 ( 5.800 0.000 -2.778) 6.430 9.092 ( -1.403 0.000 -6.394) 6.546 9.157 ( -13.285 0.000 -1.131) 13.333 9.197 ( 2.476 0.000 -10.253) 10.548 9.220 ( 2.892 0.000 2.019) 3.527 9.314 ( -0.032 0.000 -3.261) 3.262 9.324 ( 8.379 0.000 0.062) 8.380 9.466 ( -5.489 0.000 -8.201) 9.868 9.467 ( -0.185 0.000 -4.587) 4.590 9.535 ( -4.328 0.000 -5.444) 6.955 9.581 ( -2.650 0.000 1.174) 2.899 9.594 ( 2.896 0.000 -9.187) 9.633 9.670 ( -5.304 0.000 -4.481) 6.944 9.688 ( -1.109 0.000 -7.434) 7.516 9.843 ( -2.589 0.000 -3.022) 3.979 9.882 ( -1.880 0.000 -8.882) 9.078 9.902 ( -2.106 0.000 -1.257) 2.452 9.983 ( 1.020 0.000 2.446) 2.650 10.051 ( -0.953 0.000 -9.532) 9.579 10.104 ( 1.631 0.000 -0.246) 1.649 10.118 ( 4.219 0.000 -6.163) 7.469 10.304 ( 2.216 0.000 -6.537) 6.903 10.336 ( 8.133 0.000 -2.732) 8.580 10.354 ( 2.768 0.000 -10.364) 10.728 10.399 ( 3.694 0.000 -1.644) 4.044 10.546 ( -4.032 0.000 -7.349) 8.383 10.577 ( 1.749 0.000 -5.097) 5.389 10.626 ( 5.803 0.000 -3.756) 6.913 10.673 ( 7.350 0.000 -5.027) 8.904 10.702 ( -7.142 0.000 2.133) 7.454 10.733 ( 1.003 0.000 -8.043) 8.106 10.823 ( -0.352 0.000 -0.525) 0.632 10.843 ( -0.683 0.000 -2.313) 2.412 10.931 ( -3.742 0.000 0.561) 3.784 11.001 ( 0.158 0.000 -1.003) 1.015 11.059 ( 4.262 0.000 0.841) 4.344 11.088 ( -0.571 0.000 8.218) 8.238 11.208 ( -0.203 0.000 -2.251) 2.260 11.244 ( 0.275 0.000 6.684) 6.690 11.309 ( 3.224 0.000 4.214) 5.306 11.368 ( 0.312 0.000 3.460) 3.474 11.412 ( -0.444 0.000 1.688) 1.746 11.506 ( -1.599 0.000 1.932) 2.508 11.537 ( -2.241 0.000 0.871) 2.404 11.595 ( 2.261 0.000 4.104) 4.686 11.679 ( -3.769 0.000 0.100) 3.770 11.726 ( 9.314 0.000 5.695) 10.917 11.752 ( 2.228 0.000 8.427) 8.717 11.797 ( 3.072 0.000 -0.110) 3.074 11.864 ( 6.218 0.000 -3.610) 7.190 12.082 ( -1.636 0.000 5.355) 5.600 12.150 ( -2.040 0.000 -4.996) 5.396 12.210 ( 5.153 0.000 4.999) 7.180 12.272 ( -4.980 0.000 -1.878) 5.322 12.316 ( -2.041 0.000 5.893) 6.236 12.372 ( 5.508 0.000 2.809) 6.183 12.462 ( 4.136 0.000 0.516) 4.168 12.465 ( -3.456 0.000 8.483) 9.160 12.536 ( 3.386 0.000 3.174) 4.641 12.668 ( -2.723 0.000 6.120) 6.699 12.762 ( -6.804 0.000 -1.691) 7.011 12.801 ( -4.968 0.000 -2.119) 5.401 12.820 ( -5.616 0.000 -5.535) 7.885 13.023 ( -3.013 0.000 -0.382) 3.037 13.065 ( 2.687 0.000 -1.884) 3.281 13.071 ( 4.644 0.000 -4.930) 6.773 13.113 ( 3.557 0.000 -0.578) 3.604 13.338 ( -2.613 0.000 -2.476) 3.600 13.402 ( -1.672 0.000 -5.071) 5.339 13.519 ( -4.523 0.000 -2.982) 5.417 13.607 ( -1.089 0.000 1.825) 2.126 13.692 ( 6.836 0.000 -10.999) 12.951 13.865 ( 10.185 0.000 -4.987) 11.341 13.895 ( 6.341 0.000 -9.625) 11.526 14.285 ( -5.140 0.000 -4.969) 7.149 14.356 ( -3.211 0.000 -19.478) 19.741 14.445 ( 0.155 0.000 -11.851) 11.852 14.574 ( -0.094 0.000 -2.241) 2.243 14.635 ( -0.263 0.000 -19.911) 19.913 14.669 ( -0.376 0.000 -0.742) 0.831 14.812 ( -1.786 0.000 -20.011) 20.090 14.954 ( -0.634 0.000 2.425) 2.507 15.943 ( -30.025 0.000 -8.133) 31.107 16.635 ( 3.260 0.000 8.583) 9.181 16.828 ( 4.810 0.000 7.921) 9.267 16.919 ( -3.997 0.000 5.469) 6.774 17.166 ( -0.310 0.000 3.934) 3.947 17.177 ( 3.195 0.000 5.876) 6.688 17.257 ( 2.134 0.000 4.084) 4.608 17.316 ( 4.428 0.000 5.302) 6.908 17.371 ( 0.626 0.000 4.504) 4.547 17.491 ( 2.483 0.000 5.438) 5.978 17.528 ( 2.681 0.000 0.974) 2.853 17.602 ( -2.290 0.000 5.710) 6.152 17.862 ( -6.014 0.000 8.437) 10.361 19.005 ( 1.381 0.000 -10.925) 11.012 19.034 ( -0.506 0.000 -17.457) 17.465 19.105 ( -1.405 0.000 -15.453) 15.517 19.121 ( -1.100 0.000 -10.684) 10.740 19.516 ( -1.072 0.000 -13.959) 14.000 19.595 ( -0.501 0.000 -11.963) 11.974 19.608 ( -0.629 0.000 -9.336) 9.358 19.616 ( -2.797 0.000 -9.325) 9.735 19.681 ( -3.088 0.000 -9.761) 10.238 19.795 ( -1.334 0.000 -12.191) 12.264 19.854 ( -2.026 0.000 -5.670) 6.021 19.879 ( -0.876 0.000 -8.629) 8.674 20.670 ( 1.274 0.000 3.183) 3.428 20.700 ( 0.391 0.000 2.160) 2.195 20.865 ( 3.326 0.000 4.260) 5.405 21.257 ( -6.237 0.000 0.770) 6.284 21.512 ( 13.905 0.000 -5.046) 14.792 21.793 ( 4.592 0.000 -5.349) 7.050 21.815 ( 0.988 0.000 -1.877) 2.122 21.881 ( -0.469 0.000 -3.638) 3.668 21.972 ( 3.192 0.000 -5.894) 6.703 22.069 ( 2.102 0.000 -3.695) 4.251 22.345 ( -0.609 0.000 -2.659) 2.728 22.487 ( -3.356 0.000 -6.958) 7.725 26.498 ( 0.099 0.000 2.545) 2.547 26.508 ( 0.088 0.000 2.603) 2.604 26.524 ( -0.058 0.000 2.809) 2.810 26.528 ( 0.010 0.000 2.860) 2.860 26.834 ( 1.331 0.000 2.275) 2.636 26.853 ( 1.151 0.000 2.792) 3.020 26.916 ( -0.405 0.000 0.655) 0.771 26.922 ( -0.304 0.000 0.560) 0.637 27.474 ( 0.296 0.000 2.066) 2.087 27.496 ( 0.658 0.000 2.501) 2.586 27.530 ( -1.029 0.000 2.891) 3.069 27.543 ( -0.527 0.000 2.703) 2.754 34.798 ( 3.696 0.000 2.934) 4.719 35.059 ( -2.246 0.000 8.857) 9.137 35.425 ( 0.028 0.000 -1.093) 1.093 35.458 ( -0.462 0.000 3.955) 3.982 35.518 ( 1.266 0.000 -7.808) 7.910 35.755 ( -3.014 0.000 -2.666) 4.024 36.071 ( 19.531 0.000 -10.770) 22.304 37.013 ( -0.193 0.000 -5.585) 5.588 37.057 ( -1.491 0.000 -4.772) 4.999 37.108 ( -8.178 0.000 -17.090) 18.946 37.359 ( 6.790 0.000 -10.211) 12.262 37.790 ( -1.786 0.000 -1.176) 2.138 37.842 ( 2.196 0.000 10.520) 10.747 38.022 ( -3.502 0.000 -0.010) 3.502 38.039 ( -1.782 0.000 9.079) 9.252 38.072 ( -1.738 0.000 6.156) 6.396 38.550 ( 1.489 0.000 21.814) 21.865 38.625 ( 0.199 0.000 19.366) 19.367 38.931 ( 7.001 0.000 26.762) 27.662 39.370 ( -0.313 0.000 25.214) 25.216 39.443 ( 0.241 0.000 24.774) 24.775 39.517 ( -7.296 0.000 23.621) 24.722 39.881 ( 3.571 0.000 26.726) 26.964 41.323 ( -38.186 0.000 14.845) 40.970 ======================= Grid point 32 (15/36) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 28.824 0.000 32.478) 43.424 3.044 ( 35.891 0.000 30.616) 47.175 3.292 ( -30.537 0.000 23.293) 38.406 3.641 ( -15.458 0.000 21.913) 26.817 3.872 ( 0.280 0.000 23.415) 23.416 3.999 ( 13.022 0.000 21.019) 24.726 4.158 ( -11.899 0.000 22.748) 25.673 4.298 ( -13.463 0.000 14.638) 19.888 4.308 ( 22.484 0.000 34.892) 41.509 4.427 ( 7.086 0.000 20.228) 21.433 4.455 ( 11.997 0.000 16.086) 20.067 4.711 ( -5.739 0.000 22.970) 23.676 4.720 ( -14.295 0.000 7.887) 16.326 5.130 ( -30.621 0.000 16.742) 34.899 5.329 ( -2.053 0.000 16.379) 16.507 5.366 ( -5.035 0.000 12.265) 13.258 5.758 ( 13.385 0.000 2.382) 13.595 5.896 ( 10.868 0.000 10.225) 14.922 5.960 ( 5.149 0.000 5.680) 7.666 5.984 ( -4.525 0.000 6.346) 7.794 5.993 ( 2.689 0.000 6.816) 7.328 6.195 ( -5.872 0.000 7.174) 9.271 6.208 ( -9.959 0.000 10.677) 14.601 6.297 ( -6.302 0.000 -0.365) 6.313 6.312 ( 3.436 0.000 -3.177) 4.680 6.407 ( -2.440 0.000 -1.184) 2.712 6.508 ( 4.340 0.000 3.745) 5.733 6.642 ( -7.142 0.000 2.895) 7.707 6.674 ( 11.141 0.000 12.767) 16.945 6.805 ( 7.492 0.000 15.001) 16.768 7.008 ( 1.319 0.000 -0.642) 1.467 7.016 ( -0.834 0.000 4.316) 4.396 7.049 ( 9.712 0.000 3.126) 10.203 7.097 ( -0.697 0.000 1.556) 1.705 7.185 ( -0.491 0.000 -2.671) 2.716 7.224 ( -1.757 0.000 -3.969) 4.341 7.234 ( 7.015 0.000 3.679) 7.921 7.331 ( 0.199 0.000 5.487) 5.491 7.368 ( -2.576 0.000 6.637) 7.119 7.487 ( 1.575 0.000 -3.008) 3.396 7.495 ( -4.160 0.000 -2.904) 5.074 7.529 ( -4.595 0.000 4.979) 6.775 7.529 ( 4.948 0.000 -9.132) 10.386 7.591 ( -0.292 0.000 -14.744) 14.747 7.705 ( -2.353 0.000 -6.244) 6.673 7.730 ( -2.252 0.000 4.653) 5.169 7.748 ( -7.248 0.000 -3.381) 7.998 7.828 ( -10.966 0.000 2.670) 11.287 8.065 ( 5.614 0.000 1.420) 5.790 8.108 ( 6.420 0.000 -3.586) 7.353 8.229 ( -7.045 0.000 -4.029) 8.116 8.268 ( -8.160 0.000 1.454) 8.289 8.308 ( 9.411 0.000 -5.125) 10.716 8.349 ( 15.135 0.000 -2.444) 15.332 8.390 ( -1.870 0.000 4.109) 4.514 8.476 ( 4.485 0.000 3.549) 5.720 8.565 ( -0.068 0.000 -4.501) 4.501 8.611 ( 4.623 0.000 -3.659) 5.896 8.769 ( -1.657 0.000 3.618) 3.979 8.776 ( -15.731 0.000 0.103) 15.732 8.835 ( -8.366 0.000 -8.796) 12.140 8.860 ( -10.899 0.000 -1.044) 10.949 9.077 ( 7.687 0.000 -7.600) 10.810 9.151 ( 7.785 0.000 -11.282) 13.707 9.222 ( -4.786 0.000 -7.977) 9.303 9.282 ( -5.013 0.000 -6.876) 8.510 9.327 ( 3.933 0.000 -6.681) 7.753 9.385 ( 8.401 0.000 -0.790) 8.438 9.415 ( -4.162 0.000 -1.876) 4.566 9.503 ( 3.868 0.000 -6.434) 7.507 9.519 ( -4.258 0.000 -0.246) 4.265 9.608 ( -4.446 0.000 -6.628) 7.981 9.611 ( 6.823 0.000 -10.251) 12.314 9.703 ( 6.982 0.000 -4.891) 8.525 9.752 ( 4.548 0.000 -10.176) 11.147 9.798 ( 0.178 0.000 0.183) 0.255 9.800 ( 1.676 0.000 -4.456) 4.761 9.853 ( -2.607 0.000 1.656) 3.089 9.904 ( -6.891 0.000 -3.213) 7.604 9.978 ( -7.732 0.000 -6.972) 10.412 10.160 ( 5.200 0.000 -1.141) 5.324 10.279 ( 8.660 0.000 -2.076) 8.905 10.317 ( -8.651 0.000 -0.780) 8.686 10.354 ( 1.443 0.000 -3.874) 4.134 10.410 ( 2.131 0.000 -12.319) 12.502 10.462 ( -3.587 0.000 -9.618) 10.265 10.498 ( 5.428 0.000 -2.817) 6.115 10.572 ( -2.403 0.000 -2.436) 3.422 10.693 ( 5.718 0.000 -2.451) 6.221 10.711 ( 1.571 0.000 -4.406) 4.678 10.766 ( -2.327 0.000 -0.562) 2.394 10.779 ( 2.147 0.000 -7.732) 8.024 10.812 ( 1.844 0.000 -5.759) 6.047 10.817 ( -4.914 0.000 1.483) 5.133 10.884 ( 2.753 0.000 7.176) 7.686 10.979 ( -5.916 0.000 8.051) 9.991 11.065 ( 7.557 0.000 -1.047) 7.629 11.153 ( 4.070 0.000 1.468) 4.326 11.186 ( -1.456 0.000 -2.295) 2.718 11.309 ( -7.261 0.000 0.992) 7.329 11.331 ( 3.217 0.000 0.949) 3.354 11.364 ( 0.873 0.000 4.235) 4.324 11.409 ( 2.624 0.000 2.876) 3.893 11.479 ( -2.338 0.000 5.107) 5.617 11.529 ( 1.129 0.000 0.026) 1.129 11.576 ( -3.971 0.000 -0.130) 3.973 11.666 ( 5.162 0.000 1.401) 5.349 11.781 ( -4.220 0.000 0.730) 4.283 11.846 ( 6.262 0.000 11.230) 12.858 11.929 ( 10.094 0.000 2.827) 10.483 11.985 ( -6.944 0.000 9.951) 12.135 11.999 ( 6.304 0.000 -8.759) 10.791 12.100 ( -3.865 0.000 -8.958) 9.756 12.121 ( -8.529 0.000 -1.725) 8.702 12.288 ( 2.938 0.000 6.873) 7.475 12.367 ( -2.504 0.000 8.275) 8.646 12.409 ( 6.222 0.000 1.544) 6.411 12.457 ( 3.487 0.000 3.610) 5.019 12.527 ( -1.887 0.000 1.648) 2.505 12.546 ( -4.160 0.000 3.055) 5.161 12.640 ( 1.186 0.000 5.302) 5.433 12.688 ( 2.927 0.000 -1.251) 3.184 12.697 ( -4.478 0.000 0.914) 4.571 12.763 ( -2.156 0.000 -3.004) 3.698 12.968 ( 0.719 0.000 -0.917) 1.165 13.064 ( -5.636 0.000 -2.842) 6.312 13.134 ( 3.572 0.000 -5.370) 6.450 13.167 ( 0.971 0.000 -5.096) 5.188 13.376 ( -0.298 0.000 -1.507) 1.536 13.389 ( 6.584 0.000 -3.122) 7.286 13.418 ( -4.523 0.000 -0.978) 4.628 13.523 ( -6.028 0.000 -2.506) 6.528 13.876 ( 10.153 0.000 -9.370) 13.815 14.023 ( 0.081 0.000 -8.031) 8.032 14.054 ( 9.119 0.000 -11.125) 14.385 14.206 ( 2.037 0.000 -7.410) 7.685 14.235 ( -8.367 0.000 -13.598) 15.966 14.352 ( -8.110 0.000 -10.089) 12.944 14.627 ( 3.064 0.000 0.227) 3.073 14.660 ( -0.646 0.000 -0.504) 0.819 14.672 ( 3.655 0.000 -23.245) 23.531 14.753 ( -3.932 0.000 -21.928) 22.278 15.023 ( 10.038 0.000 2.157) 10.267 15.377 ( -24.484 0.000 -0.024) 24.484 16.721 ( 5.046 0.000 8.126) 9.565 16.825 ( -5.174 0.000 7.024) 8.724 16.952 ( 7.107 0.000 8.511) 11.088 17.088 ( -6.052 0.000 7.465) 9.610 17.241 ( 2.968 0.000 4.344) 5.261 17.282 ( -0.635 0.000 3.560) 3.616 17.411 ( 4.268 0.000 6.576) 7.839 17.427 ( 5.727 0.000 4.906) 7.541 17.509 ( -3.991 0.000 5.338) 6.665 17.523 ( -3.228 0.000 3.479) 4.746 17.593 ( 4.573 0.000 6.954) 8.323 17.719 ( -7.427 0.000 7.702) 10.700 19.035 ( 0.846 0.000 -16.913) 16.934 19.043 ( 2.282 0.000 -10.836) 11.074 19.067 ( -2.065 0.000 -16.075) 16.207 19.089 ( -2.113 0.000 -10.716) 10.922 19.501 ( -0.208 0.000 -12.398) 12.399 19.523 ( -2.959 0.000 -9.400) 9.855 19.589 ( -0.036 0.000 -11.143) 11.143 19.595 ( -0.595 0.000 -10.672) 10.689 19.704 ( 2.466 0.000 -11.778) 12.033 19.753 ( -2.402 0.000 -11.571) 11.818 19.853 ( 0.731 0.000 -9.221) 9.249 19.867 ( -0.629 0.000 -9.828) 9.848 20.695 ( 1.003 0.000 2.613) 2.799 20.705 ( -0.052 0.000 2.280) 2.281 20.964 ( 6.371 0.000 3.735) 7.385 21.108 ( -7.847 0.000 2.518) 8.241 21.731 ( 7.730 0.000 -7.078) 10.481 21.827 ( -1.763 0.000 -5.893) 6.151 21.840 ( 1.392 0.000 -2.506) 2.867 21.865 ( -1.078 0.000 -3.187) 3.365 22.062 ( 4.507 0.000 -6.499) 7.908 22.104 ( 0.508 0.000 -4.453) 4.482 22.345 ( 1.223 0.000 -5.273) 5.413 22.405 ( -4.337 0.000 -7.034) 8.264 26.502 ( 0.256 0.000 2.528) 2.541 26.507 ( -0.211 0.000 2.507) 2.516 26.524 ( 0.084 0.000 2.756) 2.757 26.527 ( -0.132 0.000 2.795) 2.798 26.868 ( 1.854 0.000 1.709) 2.521 26.881 ( 1.525 0.000 2.064) 2.566 26.900 ( -1.229 0.000 1.081) 1.637 26.908 ( -1.069 0.000 1.203) 1.610 27.485 ( 0.863 0.000 2.320) 2.475 27.507 ( -1.165 0.000 2.679) 2.921 27.513 ( 0.815 0.000 2.469) 2.600 27.529 ( -0.806 0.000 2.648) 2.768 34.892 ( 5.283 0.000 4.060) 6.662 34.992 ( -4.430 0.000 6.039) 7.489 35.431 ( 0.544 0.000 1.923) 1.998 35.445 ( -0.772 0.000 3.371) 3.459 35.578 ( 4.402 0.000 -6.154) 7.567 35.674 ( -4.836 0.000 -4.039) 6.301 36.496 ( 21.235 0.000 -17.533) 27.538 36.869 ( -15.701 0.000 -18.463) 24.236 37.014 ( 0.389 0.000 -5.334) 5.348 37.029 ( -1.169 0.000 -5.127) 5.259 37.525 ( 9.270 0.000 -10.204) 13.786 37.699 ( -7.416 0.000 -8.430) 11.228 37.905 ( 3.915 0.000 10.615) 11.314 37.984 ( -3.644 0.000 9.780) 10.436 37.987 ( 0.531 0.000 6.779) 6.800 38.025 ( -2.598 0.000 8.081) 8.488 38.588 ( 2.028 0.000 21.317) 21.413 38.619 ( -0.930 0.000 20.120) 20.142 39.110 ( 10.544 0.000 24.782) 26.931 39.329 ( -10.896 0.000 23.970) 26.331 39.376 ( 1.130 0.000 23.739) 23.766 39.416 ( -2.464 0.000 24.664) 24.786 40.075 ( 17.052 0.000 31.173) 35.532 40.573 ( -32.911 0.000 31.028) 45.231 ======================= Grid point 35 (16/36) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 22.612 39.369) 45.401 2.466 ( 0.000 32.645 36.475) 48.950 2.876 ( 0.000 -30.611 29.061) 42.209 3.317 ( 0.000 -35.200 31.098) 46.970 3.878 ( 0.000 26.427 59.798) 65.377 4.287 ( 0.000 5.880 8.362) 10.222 4.381 ( 0.000 3.067 6.808) 7.467 4.485 ( 0.000 25.158 9.769) 26.988 4.551 ( 0.000 -11.324 25.196) 27.624 4.683 ( 0.000 3.385 13.073) 13.504 4.765 ( 0.000 2.320 16.078) 16.245 5.075 ( 0.000 -25.182 9.666) 26.974 5.116 ( 0.000 11.539 7.936) 14.005 5.226 ( 0.000 -8.795 14.777) 17.196 5.246 ( 0.000 -5.493 12.266) 13.440 5.375 ( 0.000 -7.747 16.770) 18.473 5.434 ( 0.000 -1.934 17.529) 17.635 5.547 ( 0.000 0.542 9.995) 10.010 5.603 ( 0.000 -10.609 17.211) 20.218 5.653 ( 0.000 -7.961 14.997) 16.979 5.832 ( 0.000 11.309 -1.041) 11.357 6.066 ( 0.000 -9.749 -2.079) 9.968 6.168 ( 0.000 6.136 12.970) 14.348 6.345 ( 0.000 1.099 2.069) 2.343 6.351 ( 0.000 -3.077 5.829) 6.591 6.487 ( 0.000 -10.444 2.241) 10.682 6.556 ( 0.000 -2.703 -0.181) 2.709 6.592 ( 0.000 1.472 4.824) 5.044 6.735 ( 0.000 2.520 5.444) 5.999 6.828 ( 0.000 -5.336 3.370) 6.311 6.849 ( 0.000 -5.790 2.110) 6.163 6.938 ( 0.000 -9.351 -3.496) 9.984 7.085 ( 0.000 9.111 -0.226) 9.114 7.092 ( 0.000 15.608 8.049) 17.561 7.229 ( 0.000 3.240 2.641) 4.180 7.238 ( 0.000 6.991 5.085) 8.645 7.353 ( 0.000 10.552 -2.536) 10.852 7.407 ( 0.000 2.556 -6.050) 6.568 7.471 ( 0.000 -0.491 2.645) 2.691 7.556 ( 0.000 -0.972 -7.686) 7.747 7.600 ( 0.000 3.762 -3.948) 5.453 7.674 ( 0.000 3.928 -6.447) 7.549 7.677 ( 0.000 -6.493 -8.443) 10.651 7.720 ( 0.000 -2.107 -0.202) 2.116 7.729 ( 0.000 1.352 4.052) 4.272 7.828 ( 0.000 1.757 -2.646) 3.176 7.910 ( 0.000 6.422 0.857) 6.479 7.996 ( 0.000 5.219 0.479) 5.241 8.046 ( 0.000 2.983 -7.158) 7.755 8.118 ( 0.000 13.378 4.295) 14.050 8.156 ( 0.000 -5.167 0.996) 5.262 8.164 ( 0.000 2.069 3.332) 3.922 8.249 ( 0.000 0.849 -0.818) 1.179 8.324 ( 0.000 -1.196 3.952) 4.129 8.337 ( 0.000 -13.286 8.396) 15.717 8.471 ( 0.000 2.653 2.692) 3.779 8.528 ( 0.000 -0.224 0.745) 0.778 8.634 ( 0.000 -15.669 2.582) 15.881 8.686 ( 0.000 1.940 1.619) 2.526 8.713 ( 0.000 6.623 -2.453) 7.063 8.716 ( 0.000 -3.233 -6.852) 7.576 8.827 ( 0.000 -0.587 -17.829) 17.839 8.947 ( 0.000 -12.122 -9.678) 15.511 8.966 ( 0.000 -11.745 -3.461) 12.245 9.259 ( 0.000 10.714 -4.036) 11.449 9.322 ( 0.000 0.696 -3.959) 4.019 9.329 ( 0.000 0.201 -2.350) 2.358 9.457 ( 0.000 -4.629 -3.155) 5.602 9.478 ( 0.000 5.269 -7.016) 8.774 9.508 ( 0.000 -2.128 -1.327) 2.508 9.523 ( 0.000 -0.236 -4.507) 4.513 9.558 ( 0.000 1.078 -17.098) 17.132 9.730 ( 0.000 7.669 -2.604) 8.099 9.773 ( 0.000 -0.280 -2.783) 2.797 9.823 ( 0.000 1.854 -9.048) 9.236 9.847 ( 0.000 -1.755 -2.451) 3.015 9.885 ( 0.000 -2.547 2.068) 3.281 9.913 ( 0.000 -1.621 -3.375) 3.744 9.955 ( 0.000 5.622 -7.656) 9.498 10.027 ( 0.000 2.430 -0.150) 2.435 10.048 ( 0.000 -4.275 -8.239) 9.282 10.119 ( 0.000 3.033 -3.976) 5.001 10.142 ( 0.000 -5.028 -0.081) 5.029 10.151 ( 0.000 -2.401 -1.795) 2.998 10.372 ( 0.000 0.993 -5.870) 5.954 10.409 ( 0.000 -7.010 -6.886) 9.826 10.454 ( 0.000 3.830 -3.454) 5.157 10.527 ( 0.000 -2.278 -5.858) 6.286 10.634 ( 0.000 -4.998 -4.574) 6.775 10.635 ( 0.000 4.485 -9.133) 10.175 10.660 ( 0.000 -3.879 -4.002) 5.573 10.713 ( 0.000 2.063 -9.511) 9.732 10.878 ( 0.000 7.213 -0.728) 7.250 10.935 ( 0.000 0.951 1.363) 1.662 10.957 ( 0.000 -3.708 1.088) 3.864 11.044 ( 0.000 4.420 0.961) 4.523 11.114 ( 0.000 -7.981 1.755) 8.172 11.199 ( 0.000 -1.214 6.342) 6.457 11.201 ( 0.000 8.626 4.060) 9.534 11.229 ( 0.000 -4.301 1.789) 4.658 11.267 ( 0.000 19.077 -4.776) 19.666 11.415 ( 0.000 -3.859 6.103) 7.221 11.420 ( 0.000 -5.003 -3.118) 5.896 11.468 ( 0.000 2.364 8.624) 8.942 11.565 ( 0.000 0.236 1.020) 1.047 11.566 ( 0.000 2.205 5.340) 5.777 11.643 ( 0.000 -4.304 -0.092) 4.305 11.699 ( 0.000 3.909 3.146) 5.018 11.815 ( 0.000 7.295 7.451) 10.428 11.889 ( 0.000 7.487 1.099) 7.567 11.906 ( 0.000 -8.935 -2.680) 9.328 11.961 ( 0.000 5.643 -0.506) 5.666 12.116 ( 0.000 -7.631 5.715) 9.534 12.122 ( 0.000 -4.422 0.042) 4.422 12.188 ( 0.000 -1.016 0.763) 1.270 12.288 ( 0.000 -3.508 -3.040) 4.642 12.372 ( 0.000 1.621 4.553) 4.833 12.435 ( 0.000 1.032 5.721) 5.813 12.467 ( 0.000 1.183 2.743) 2.988 12.566 ( 0.000 1.275 5.352) 5.502 12.653 ( 0.000 -8.981 -4.825) 10.195 12.662 ( 0.000 -2.528 1.744) 3.071 12.931 ( 0.000 2.096 -2.478) 3.246 12.934 ( 0.000 1.739 -2.903) 3.384 12.952 ( 0.000 -0.086 1.082) 1.085 12.987 ( 0.000 -3.108 1.935) 3.662 13.110 ( 0.000 1.279 0.393) 1.338 13.121 ( 0.000 1.340 0.844) 1.584 13.499 ( 0.000 3.869 2.065) 4.386 13.502 ( 0.000 3.254 -3.509) 4.785 13.526 ( 0.000 6.844 -7.310) 10.014 13.612 ( 0.000 0.711 -0.539) 0.892 13.666 ( 0.000 -3.589 -7.833) 8.616 13.692 ( 0.000 -4.294 -5.976) 7.359 13.884 ( 0.000 7.636 -12.057) 14.272 14.129 ( 0.000 -12.316 -12.746) 17.724 14.454 ( 0.000 5.061 -15.365) 16.177 14.455 ( 0.000 2.837 -13.862) 14.150 14.524 ( 0.000 -2.782 -13.355) 13.642 14.596 ( 0.000 -6.036 -9.333) 11.115 14.857 ( 0.000 2.026 -9.243) 9.463 14.875 ( 0.000 3.697 -3.199) 4.889 15.073 ( 0.000 18.502 -0.191) 18.503 15.741 ( 0.000 -36.574 -3.185) 36.713 16.643 ( 0.000 3.313 8.536) 9.156 16.726 ( 0.000 -3.508 8.084) 8.812 17.017 ( 0.000 2.132 4.931) 5.372 17.063 ( 0.000 -2.079 5.445) 5.828 17.179 ( 0.000 2.469 6.277) 6.745 17.234 ( 0.000 -2.473 5.987) 6.478 17.269 ( 0.000 2.562 3.324) 4.196 17.329 ( 0.000 -2.471 3.122) 3.982 17.521 ( 0.000 3.067 3.814) 4.894 17.592 ( 0.000 -2.748 5.069) 5.765 17.725 ( 0.000 11.848 -0.230) 11.851 17.890 ( 0.000 -3.680 5.558) 6.665 19.020 ( 0.000 2.317 -12.344) 12.560 19.060 ( 0.000 1.654 -15.536) 15.624 19.079 ( 0.000 -2.622 -14.537) 14.772 19.109 ( 0.000 -2.164 -11.731) 11.929 19.539 ( 0.000 0.955 -13.715) 13.748 19.571 ( 0.000 -1.487 -13.268) 13.351 19.619 ( 0.000 0.418 -7.862) 7.873 19.637 ( 0.000 -0.240 -9.783) 9.786 19.742 ( 0.000 -0.410 -11.339) 11.347 19.763 ( 0.000 -4.264 -5.185) 6.713 19.823 ( 0.000 -0.238 -9.815) 9.818 19.851 ( 0.000 -1.752 -10.457) 10.603 20.728 ( 0.000 2.555 2.696) 3.714 20.787 ( 0.000 -1.968 3.633) 4.132 21.058 ( 0.000 20.076 -5.918) 20.930 21.263 ( 0.000 -0.914 -0.563) 1.074 21.375 ( 0.000 1.692 2.229) 2.799 21.566 ( 0.000 -12.024 -5.203) 13.102 21.830 ( 0.000 1.718 -2.841) 3.320 21.859 ( 0.000 -0.871 -4.466) 4.550 22.009 ( 0.000 2.497 -2.781) 3.738 22.039 ( 0.000 -0.577 -2.851) 2.908 22.389 ( 0.000 3.186 -2.839) 4.267 22.476 ( 0.000 -3.727 -5.269) 6.454 26.503 ( 0.000 0.465 2.617) 2.658 26.510 ( 0.000 0.181 2.739) 2.745 26.519 ( 0.000 -0.418 2.825) 2.856 26.522 ( 0.000 -0.343 2.830) 2.851 26.824 ( 0.000 0.302 2.606) 2.623 26.833 ( 0.000 -0.507 2.915) 2.959 26.924 ( 0.000 0.252 0.466) 0.529 26.926 ( 0.000 0.084 0.414) 0.423 27.475 ( 0.000 0.327 2.102) 2.128 27.484 ( 0.000 -0.394 2.416) 2.448 27.543 ( 0.000 0.113 2.886) 2.888 27.547 ( 0.000 -0.145 2.737) 2.741 34.900 ( 0.000 10.575 1.089) 10.631 35.179 ( 0.000 -13.880 0.896) 13.909 35.207 ( 0.000 9.556 4.453) 10.543 35.392 ( 0.000 -4.746 -1.568) 4.999 35.620 ( 0.000 2.840 -4.969) 5.723 35.716 ( 0.000 -4.932 -4.610) 6.751 36.089 ( 0.000 18.570 -3.716) 18.938 36.569 ( 0.000 -23.186 -7.123) 24.256 37.145 ( 0.000 5.635 -7.368) 9.275 37.251 ( 0.000 -3.137 -9.971) 10.453 37.580 ( 0.000 17.243 -13.571) 21.943 37.796 ( 0.000 -1.268 -1.149) 1.711 37.826 ( 0.000 0.729 10.473) 10.498 37.943 ( 0.000 -10.057 -2.699) 10.412 38.066 ( 0.000 0.698 8.694) 8.722 38.078 ( 0.000 -0.264 8.474) 8.478 38.603 ( 0.000 4.604 23.144) 23.598 38.660 ( 0.000 1.518 23.562) 23.611 38.829 ( 0.000 0.888 22.477) 22.494 39.030 ( 0.000 -15.464 22.002) 26.893 39.517 ( 0.000 6.383 23.492) 24.344 39.651 ( 0.000 -4.120 25.027) 25.364 40.320 ( 0.000 35.374 26.948) 44.469 41.222 ( 0.000 -40.703 15.083) 43.408 ======================= Grid point 36 (17/36) ======================= q-point: ( 0.20 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 17.881 18.371 37.875) 45.735 2.731 ( 23.430 25.305 31.106) 46.442 2.977 ( 10.978 -25.639 29.824) 40.833 3.469 ( 13.456 -31.161 29.521) 44.984 3.999 ( -16.174 12.164 20.741) 28.979 4.056 ( 9.254 22.971 45.174) 51.517 4.261 ( -15.641 -5.038 14.131) 21.673 4.345 ( -16.141 8.179 14.434) 23.147 4.513 ( -6.121 11.271 16.046) 20.542 4.593 ( -13.567 -8.832 16.879) 23.387 4.698 ( 9.117 9.262 15.658) 20.349 4.970 ( -7.719 13.520 9.775) 18.383 5.115 ( 5.811 -27.150 18.777) 33.518 5.203 ( -12.430 1.243 5.755) 13.754 5.299 ( 1.079 -6.211 12.785) 14.254 5.437 ( 6.996 -2.346 7.447) 10.484 5.472 ( 0.862 -6.354 10.675) 12.453 5.559 ( 6.212 0.545 19.535) 20.507 5.580 ( 2.186 -1.766 12.334) 12.650 5.712 ( 6.547 -18.171 11.827) 22.648 5.929 ( 2.395 2.015 4.846) 5.769 6.062 ( -3.054 -5.434 4.445) 7.656 6.140 ( -0.917 2.004 7.257) 7.584 6.351 ( -2.736 -6.863 7.010) 10.184 6.418 ( -1.807 3.467 4.434) 5.911 6.473 ( 3.987 2.294 4.114) 6.172 6.519 ( -0.586 -5.166 -1.275) 5.353 6.600 ( 4.034 -3.017 -0.244) 5.043 6.762 ( -3.386 1.605 5.507) 6.661 6.798 ( 2.884 0.880 2.525) 3.933 6.863 ( -0.349 -4.464 5.929) 7.429 6.980 ( 1.170 -7.381 1.157) 7.562 7.115 ( 1.658 8.780 3.613) 9.638 7.146 ( 4.876 4.945 -1.563) 7.118 7.207 ( -8.283 6.723 6.951) 12.732 7.235 ( -4.396 1.893 -2.857) 5.574 7.315 ( -1.024 11.132 -1.021) 11.225 7.353 ( 3.690 7.957 1.392) 8.880 7.474 ( -2.424 1.401 3.348) 4.365 7.507 ( -3.473 3.221 -1.375) 4.932 7.580 ( -1.657 -0.772 0.120) 1.832 7.624 ( -1.751 -0.326 -10.280) 10.433 7.636 ( 2.900 -0.234 -2.810) 4.045 7.655 ( -9.203 -5.284 4.836) 11.662 7.704 ( -0.592 -0.391 -8.778) 8.806 7.847 ( -4.598 5.966 -1.728) 7.728 7.884 ( 3.403 3.825 -1.488) 5.332 7.897 ( -2.321 -2.315 -4.403) 5.490 8.010 ( -3.164 2.333 -1.460) 4.193 8.063 ( -4.842 9.583 1.425) 10.831 8.127 ( -8.359 -6.116 2.295) 10.609 8.188 ( -0.331 -6.253 -1.338) 6.403 8.209 ( 8.373 -2.747 -1.731) 8.980 8.326 ( 1.498 -5.581 -2.676) 6.368 8.365 ( 3.943 5.430 5.285) 8.542 8.553 ( 1.957 4.453 -1.724) 5.161 8.587 ( -3.045 -0.036 -5.625) 6.396 8.643 ( 2.255 0.677 -3.314) 4.065 8.730 ( -2.159 -2.986 -4.852) 6.092 8.794 ( 9.396 -11.204 1.175) 14.670 8.849 ( 8.196 3.040 -1.758) 8.917 8.905 ( 3.858 -1.224 -7.387) 8.423 8.954 ( 2.689 -4.351 0.466) 5.136 9.031 ( 9.824 -5.305 -8.075) 13.779 9.234 ( -1.641 3.906 -0.157) 4.240 9.305 ( 0.427 -0.970 -2.574) 2.784 9.383 ( 3.352 4.709 -6.075) 8.385 9.459 ( -1.612 -2.003 -1.826) 3.153 9.472 ( 0.377 1.748 -4.248) 4.609 9.503 ( -2.262 5.964 -6.622) 9.195 9.536 ( 1.789 1.379 -4.761) 5.270 9.579 ( 1.694 0.882 -7.904) 8.132 9.634 ( -4.540 4.642 -2.315) 6.893 9.654 ( -8.075 1.547 -5.148) 9.701 9.754 ( -5.523 2.547 -4.725) 7.702 9.803 ( -3.177 -1.826 -5.401) 6.527 9.860 ( -4.757 -3.830 -6.026) 8.580 9.881 ( -2.518 -3.879 -1.923) 5.009 9.952 ( -1.853 -1.820 -7.024) 7.489 10.010 ( -0.217 -7.881 -6.552) 10.251 10.016 ( -2.818 3.211 -1.612) 4.566 10.131 ( 0.223 -1.100 -3.326) 3.510 10.144 ( 2.691 -2.436 -4.568) 5.834 10.193 ( 0.214 -6.364 -2.918) 7.005 10.375 ( 3.077 1.205 -3.223) 4.616 10.473 ( 3.648 -5.306 -4.430) 7.816 10.538 ( 8.352 3.587 -4.624) 10.198 10.591 ( 3.779 1.917 -4.216) 5.978 10.626 ( 1.430 -3.451 -5.254) 6.447 10.672 ( 1.686 -1.866 -2.638) 3.645 10.716 ( -1.015 3.794 -6.139) 7.288 10.753 ( 5.875 4.753 -7.723) 10.806 10.921 ( 1.781 8.103 1.082) 8.367 10.942 ( 3.280 0.997 -2.540) 4.266 10.968 ( -0.025 -1.119 1.256) 1.683 11.002 ( -2.499 -0.104 1.131) 2.745 11.014 ( -5.220 -0.750 1.454) 5.470 11.163 ( -3.002 4.344 0.034) 5.281 11.178 ( 0.332 -5.594 0.882) 5.672 11.278 ( -0.185 -1.077 2.376) 2.616 11.337 ( 5.741 5.752 7.163) 10.833 11.359 ( -0.549 5.207 -1.246) 5.382 11.457 ( -1.543 3.319 4.700) 5.957 11.499 ( 4.401 -6.653 1.312) 8.084 11.540 ( -0.192 1.479 1.808) 2.344 11.620 ( 1.887 7.149 1.774) 7.604 11.666 ( -0.210 -4.903 0.271) 4.915 11.734 ( 1.843 1.371 1.142) 2.565 11.763 ( -2.344 3.033 6.715) 7.732 11.840 ( 0.910 0.457 4.642) 4.752 11.924 ( -2.100 -6.350 -2.355) 7.090 12.058 ( 0.171 -1.909 1.678) 2.548 12.072 ( 3.116 3.086 -0.185) 4.389 12.182 ( 3.407 -3.907 1.985) 5.551 12.208 ( 4.115 1.810 2.217) 5.013 12.306 ( 1.474 -4.605 0.258) 4.842 12.357 ( -1.230 1.817 3.573) 4.193 12.451 ( 1.508 1.105 3.868) 4.296 12.473 ( -2.079 -0.800 3.531) 4.175 12.555 ( 0.741 0.725 3.917) 4.052 12.627 ( -2.131 -5.017 -1.306) 5.605 12.650 ( 1.068 -4.789 -1.153) 5.041 12.847 ( -4.747 3.750 -2.040) 6.384 12.870 ( -6.507 2.418 -0.853) 6.994 12.973 ( -0.953 -2.590 1.318) 3.059 13.013 ( 2.194 -4.564 -2.745) 5.760 13.056 ( -4.911 2.068 2.276) 5.795 13.124 ( -0.959 -1.615 1.628) 2.486 13.405 ( -0.923 6.776 -3.198) 7.549 13.523 ( -0.337 5.608 -3.877) 6.826 13.565 ( -0.722 -2.262 -0.581) 2.444 13.598 ( -1.241 2.488 -2.608) 3.812 13.744 ( 9.395 2.319 -9.936) 13.870 13.824 ( 9.639 -3.424 -5.599) 11.661 13.948 ( 6.171 6.696 -12.141) 15.176 14.169 ( 3.104 -10.057 -11.283) 15.430 14.408 ( -4.374 4.598 -15.584) 16.827 14.428 ( -2.745 1.464 -13.021) 13.387 14.474 ( -4.619 -2.569 -12.809) 13.856 14.566 ( -2.697 -6.951 -10.075) 12.534 14.844 ( -0.578 3.237 -8.389) 9.010 14.876 ( 0.521 2.706 -3.903) 4.777 15.028 ( -4.072 14.876 -1.251) 15.473 15.552 ( -16.378 -26.805 -1.414) 31.444 16.678 ( 3.414 3.477 8.576) 9.863 16.769 ( 4.201 -4.041 8.373) 10.202 16.964 ( -3.990 3.303 5.884) 7.839 17.058 ( -1.714 -5.145 6.055) 8.129 17.214 ( 3.226 2.808 5.564) 7.018 17.276 ( 3.577 -1.605 5.182) 6.498 17.305 ( 2.955 1.855 3.629) 5.035 17.376 ( 3.970 -3.466 3.329) 6.233 17.512 ( -0.638 4.461 4.317) 6.241 17.584 ( -0.878 -1.819 5.043) 5.432 17.688 ( -3.481 8.216 2.857) 9.369 17.822 ( -6.328 -3.668 6.566) 9.829 19.026 ( 0.587 1.714 -12.373) 12.505 19.052 ( -0.543 1.406 -15.388) 15.462 19.075 ( -0.572 -2.000 -14.386) 14.536 19.098 ( -1.049 -1.912 -12.050) 12.246 19.532 ( -0.572 1.349 -13.518) 13.597 19.570 ( -0.245 -1.780 -12.782) 12.908 19.595 ( -2.084 -0.376 -8.562) 8.820 19.602 ( -3.187 -1.019 -8.015) 8.685 19.720 ( 0.234 2.730 -10.433) 10.787 19.789 ( 1.300 -3.465 -8.799) 9.546 19.808 ( -1.200 1.114 -10.973) 11.094 19.848 ( -0.377 -2.043 -10.360) 10.566 20.740 ( 1.199 3.218 2.682) 4.357 20.813 ( 2.436 -1.731 3.446) 4.561 20.924 ( -6.495 13.646 1.049) 15.150 21.179 ( -8.070 -7.305 0.537) 10.899 21.554 ( 12.558 3.879 -5.371) 14.198 21.684 ( 7.810 -7.082 -5.644) 11.959 21.838 ( 0.613 1.399 -3.242) 3.584 21.859 ( -0.252 -0.564 -4.747) 4.787 22.049 ( 3.893 2.919 -3.997) 6.297 22.073 ( 3.323 0.177 -3.248) 4.650 22.362 ( -2.564 2.125 -3.303) 4.690 22.439 ( -3.565 -3.755 -5.497) 7.552 26.504 ( 0.122 0.481 2.592) 2.639 26.512 ( 0.122 0.171 2.626) 2.634 26.519 ( -0.009 -0.311 2.747) 2.764 26.523 ( 0.039 -0.371 2.775) 2.800 26.839 ( 1.403 0.360 2.334) 2.747 26.848 ( 1.343 -0.406 2.585) 2.942 26.920 ( -0.434 0.258 0.627) 0.805 26.923 ( -0.364 0.022 0.592) 0.695 27.479 ( 0.358 0.408 2.206) 2.272 27.490 ( 0.539 -0.507 2.427) 2.537 27.533 ( -0.951 0.219 2.877) 3.038 27.539 ( -0.701 -0.304 2.775) 2.879 34.925 ( 2.506 9.899 1.847) 10.377 35.154 ( -3.178 5.087 5.013) 7.817 35.199 ( 0.623 -10.607 1.179) 10.691 35.338 ( -3.872 -6.827 0.873) 7.897 35.677 ( 6.061 9.014 -5.771) 12.300 35.900 ( 13.510 -7.802 -8.471) 17.752 36.059 ( -2.418 16.220 -4.243) 16.939 36.531 ( -3.800 -23.306 -7.612) 24.810 37.168 ( 2.646 8.119 -8.383) 11.966 37.315 ( 5.923 -4.202 -10.354) 12.647 37.526 ( -5.109 16.778 -13.390) 22.065 37.765 ( -3.821 -3.655 -6.591) 8.450 37.851 ( 2.390 0.983 10.516) 10.829 37.928 ( -0.289 -6.501 4.013) 7.646 38.049 ( -1.785 0.746 8.753) 8.964 38.064 ( -1.559 -0.482 8.083) 8.246 38.620 ( 1.751 5.278 23.102) 23.762 38.684 ( 1.824 3.370 21.628) 21.965 38.847 ( 1.729 -3.174 22.630) 22.917 39.016 ( -1.536 -15.255 21.480) 26.390 39.539 ( 2.583 8.481 24.313) 25.879 39.705 ( 5.814 -4.145 26.935) 27.865 40.181 ( -12.490 29.467 28.109) 42.596 40.911 ( -26.913 -31.222 23.553) 47.475 ======================= Grid point 37 (18/36) ======================= q-point: ( 0.40 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 28.537 14.313 31.031) 44.521 3.263 ( 27.333 0.859 24.913) 36.993 3.313 ( 21.131 -4.597 29.000) 36.175 3.450 ( -28.066 11.138 23.010) 37.963 3.811 ( 2.283 -20.661 27.133) 34.181 3.821 ( -13.535 -10.160 23.057) 28.602 3.871 ( -22.345 1.847 23.956) 32.811 4.183 ( -16.797 -14.493 20.826) 30.429 4.548 ( 10.478 19.859 22.914) 32.081 4.582 ( 17.885 17.896 20.787) 32.745 4.768 ( -7.831 13.918 16.360) 22.863 4.885 ( 6.763 14.745 8.523) 18.325 4.983 ( -7.745 4.341 6.836) 11.205 5.201 ( -15.161 6.064 9.612) 18.948 5.298 ( 8.591 -24.106 10.755) 27.759 5.427 ( -3.850 -0.917 8.817) 9.664 5.522 ( 6.548 -3.659 21.928) 23.175 5.614 ( 2.983 -2.336 8.509) 9.314 5.771 ( 0.053 -6.970 11.799) 13.704 5.827 ( -0.230 -8.639 10.896) 13.907 5.851 ( 1.538 -5.392 7.352) 9.246 6.016 ( -6.732 -5.456 5.330) 10.173 6.082 ( 4.619 -13.630 17.654) 22.776 6.239 ( -6.340 -15.196 10.125) 19.329 6.416 ( 5.314 2.019 1.773) 5.955 6.477 ( -1.821 -0.254 7.211) 7.442 6.527 ( -6.637 11.871 7.174) 15.376 6.639 ( -9.886 -0.455 7.982) 12.714 6.700 ( 9.418 10.215 0.318) 13.898 6.848 ( 4.169 -8.694 2.745) 10.026 6.931 ( 6.270 -2.435 0.945) 6.792 7.016 ( 1.028 -5.076 -4.068) 6.586 7.032 ( -10.537 1.672 -0.041) 10.669 7.097 ( 4.135 3.357 -0.582) 5.358 7.190 ( -4.308 -1.628 -1.450) 4.828 7.253 ( 3.452 2.455 -1.051) 4.365 7.305 ( -0.738 4.903 -4.435) 6.653 7.410 ( -1.952 -5.533 -3.190) 6.678 7.443 ( -1.798 9.245 1.326) 9.512 7.471 ( -1.839 5.676 -0.848) 6.026 7.521 ( 3.036 5.766 3.610) 7.450 7.546 ( 2.703 1.608 -1.476) 3.475 7.618 ( 0.637 -1.084 0.238) 1.280 7.696 ( 0.651 0.873 -6.905) 6.990 7.714 ( -0.162 -1.426 0.880) 1.684 7.750 ( -4.362 6.101 -6.545) 9.954 7.800 ( -7.558 1.002 -5.669) 9.501 7.855 ( -5.935 4.985 1.561) 7.906 7.967 ( 5.464 -3.161 -1.054) 6.400 8.058 ( -0.262 -4.410 -3.968) 5.938 8.141 ( 6.140 -11.877 -3.113) 13.728 8.229 ( 1.129 -3.328 -3.666) 5.078 8.295 ( 0.821 2.643 -1.965) 3.395 8.361 ( -1.650 4.860 0.477) 5.155 8.453 ( 5.001 -1.700 -1.936) 5.626 8.500 ( -1.476 -2.307 3.085) 4.125 8.614 ( 1.859 6.603 -2.539) 7.315 8.698 ( 7.006 0.175 -2.870) 7.573 8.717 ( 6.373 5.132 -2.372) 8.519 8.825 ( -9.006 3.684 -4.883) 10.887 8.879 ( -6.091 3.177 2.459) 7.297 8.956 ( -6.316 7.670 -1.464) 10.044 8.985 ( 8.416 -5.723 -3.688) 10.825 9.134 ( -3.688 -4.039 -8.680) 10.259 9.252 ( 4.441 5.168 -5.739) 8.909 9.348 ( -0.114 -0.084 -0.951) 0.961 9.365 ( -0.757 1.293 -8.273) 8.407 9.414 ( -2.438 -0.505 2.776) 3.729 9.466 ( -0.104 0.422 -3.116) 3.146 9.491 ( -1.488 1.634 -6.670) 7.027 9.533 ( 1.596 2.762 -4.110) 5.202 9.549 ( -0.987 -1.647 -5.049) 5.401 9.623 ( 4.772 0.582 -8.003) 9.336 9.715 ( 1.166 0.721 -4.647) 4.845 9.724 ( -2.814 -1.468 -4.906) 5.843 9.749 ( 0.135 -3.199 -2.351) 3.972 9.799 ( 8.772 0.312 -2.546) 9.139 9.809 ( -1.673 -5.030 0.356) 5.313 9.896 ( -5.823 1.338 -2.815) 6.605 9.988 ( 3.409 -3.645 -10.405) 11.540 10.021 ( -6.895 -3.570 -1.548) 7.918 10.070 ( -1.258 -5.505 -5.542) 7.912 10.150 ( -0.714 -9.858 -9.322) 13.586 10.203 ( -2.042 -7.574 -2.007) 8.097 10.443 ( 4.141 3.405 -2.706) 6.005 10.502 ( 0.433 1.474 -2.802) 3.196 10.584 ( -2.082 -1.456 -2.051) 3.265 10.629 ( -3.934 -2.823 -2.719) 5.553 10.708 ( 4.888 2.181 -3.724) 6.520 10.730 ( 2.580 3.977 -3.285) 5.767 10.759 ( 6.492 -0.300 -2.873) 7.105 10.808 ( -0.110 1.163 -3.515) 3.704 10.891 ( 0.361 5.978 -1.194) 6.107 10.948 ( -0.580 7.445 -5.339) 9.180 10.970 ( -0.491 -0.109 4.121) 4.151 10.997 ( -1.559 4.449 1.221) 4.869 11.089 ( 8.746 2.072 -4.565) 10.081 11.138 ( 1.427 -0.258 -0.473) 1.525 11.181 ( -0.818 -0.278 -3.735) 3.833 11.254 ( -5.026 -3.455 -4.616) 7.648 11.351 ( 1.228 3.646 4.783) 6.138 11.410 ( 2.071 -0.337 6.029) 6.384 11.417 ( -2.857 0.355 4.688) 5.501 11.480 ( -2.509 -2.153 3.912) 5.122 11.593 ( 0.411 5.029 2.749) 5.746 11.648 ( -2.587 7.806 3.824) 9.070 11.668 ( 8.615 -0.724 0.100) 8.646 11.754 ( 1.623 0.389 4.567) 4.862 11.801 ( 0.018 -0.568 0.318) 0.651 11.838 ( -5.456 -7.874 2.978) 10.032 11.871 ( 3.358 -5.117 0.028) 6.121 11.971 ( -4.750 -10.026 -1.255) 11.165 12.177 ( 2.905 8.834 0.084) 9.300 12.215 ( 0.267 3.909 0.789) 3.997 12.276 ( -0.245 -0.145 6.116) 6.122 12.322 ( -0.808 -2.589 6.817) 7.336 12.403 ( 4.645 0.457 1.996) 5.076 12.428 ( 2.638 0.689 0.344) 2.748 12.488 ( 2.202 -0.206 2.364) 3.237 12.564 ( -2.758 -3.364 0.350) 4.364 12.651 ( 3.652 -1.562 -1.467) 4.234 12.684 ( 2.792 -2.730 -0.775) 3.981 12.734 ( -5.633 2.185 -0.135) 6.044 12.777 ( -2.890 1.855 -0.006) 3.434 12.922 ( -2.851 -2.948 -0.281) 4.111 12.942 ( -4.455 2.790 1.875) 5.581 13.042 ( 0.996 -7.867 -2.413) 8.289 13.081 ( -2.767 -6.393 0.083) 6.967 13.444 ( 3.377 7.236 -2.028) 8.238 13.500 ( -1.954 7.099 -2.669) 7.831 13.556 ( 0.035 0.876 -1.956) 2.144 13.571 ( -1.284 2.024 -2.948) 3.799 13.948 ( 10.383 4.943 -9.518) 14.928 14.029 ( 9.255 -1.356 -8.504) 12.642 14.083 ( 4.178 4.252 -11.075) 12.577 14.176 ( -2.833 -2.237 -9.448) 10.114 14.287 ( -5.684 4.597 -13.118) 15.018 14.347 ( -7.058 1.056 -11.982) 13.946 14.419 ( 2.608 -9.329 -14.055) 17.070 14.499 ( -4.043 -9.300 -11.903) 15.637 14.852 ( 1.712 5.728 -7.960) 9.955 14.906 ( -1.533 10.501 -5.910) 12.147 14.976 ( 4.703 -2.683 -0.684) 5.457 15.208 ( -16.057 -12.660 -0.456) 20.453 16.768 ( 5.220 3.921 8.193) 10.476 16.870 ( -2.071 1.862 7.406) 7.913 16.880 ( 3.152 -3.073 8.127) 9.243 16.992 ( -4.825 -6.067 7.407) 10.722 17.289 ( 3.721 3.598 4.318) 6.741 17.331 ( 0.293 3.717 3.680) 5.239 17.377 ( 4.597 -3.360 4.249) 7.105 17.433 ( 0.223 -4.762 3.423) 5.869 17.518 ( 1.882 5.646 6.477) 8.796 17.556 ( -1.773 2.008 6.064) 6.630 17.618 ( -1.874 0.941 6.756) 7.074 17.678 ( -6.840 -3.481 7.469) 10.709 19.043 ( 0.935 0.501 -13.730) 13.771 19.047 ( 0.377 0.578 -13.817) 13.834 19.057 ( -0.898 -0.583 -14.581) 14.621 19.073 ( -1.404 -1.180 -12.355) 12.491 19.523 ( -0.149 1.787 -12.367) 12.496 19.537 ( -1.785 1.198 -9.882) 10.113 19.567 ( -0.153 -1.749 -12.074) 12.201 19.572 ( -0.738 -1.566 -10.353) 10.496 19.744 ( 1.702 2.949 -11.219) 11.725 19.779 ( -1.634 2.112 -11.108) 11.425 19.814 ( 1.186 -2.890 -10.162) 10.631 19.835 ( -0.871 -2.460 -10.354) 10.678 20.773 ( 2.025 5.369 2.659) 6.324 20.820 ( -2.626 8.999 2.459) 9.691 20.903 ( 4.667 -4.726 3.413) 7.467 21.024 ( -7.130 -7.189 2.455) 10.419 21.747 ( 6.751 1.607 -6.468) 9.486 21.803 ( 3.773 -3.033 -5.172) 7.084 21.836 ( -2.363 0.201 -5.382) 5.881 21.843 ( -0.527 -0.170 -4.199) 4.235 22.142 ( 4.311 4.225 -5.093) 7.898 22.156 ( 3.833 3.937 -4.417) 7.050 22.304 ( -2.172 -2.405 -4.606) 5.631 22.346 ( -5.110 -4.489 -5.834) 8.961 26.508 ( 0.242 0.478 2.555) 2.610 26.512 ( -0.132 0.392 2.530) 2.563 26.519 ( 0.096 -0.406 2.679) 2.711 26.522 ( -0.137 -0.372 2.690) 2.719 26.873 ( 1.832 0.361 1.703) 2.527 26.880 ( 1.673 -0.188 1.885) 2.527 26.904 ( -1.211 0.287 1.073) 1.643 26.908 ( -1.113 -0.054 1.137) 1.592 27.490 ( 0.837 0.465 2.434) 2.616 27.504 ( 0.835 -0.624 2.552) 2.757 27.511 ( -1.135 0.358 2.693) 2.944 27.522 ( -0.937 -0.551 2.715) 2.925 34.993 ( 4.090 8.287 3.285) 9.808 35.078 ( -4.192 7.036 4.660) 9.423 35.225 ( 1.838 -11.546 1.981) 11.858 35.271 ( -2.789 -9.271 2.540) 10.009 35.817 ( 7.314 14.997 -6.030) 17.742 35.950 ( -5.600 17.940 -5.241) 19.511 36.204 ( 12.842 -18.179 -10.513) 24.616 36.414 ( -8.131 -22.579 -9.145) 25.682 37.256 ( 6.091 12.790 -10.690) 17.747 37.396 ( -7.397 15.729 -12.624) 21.482 37.466 ( 8.724 -5.638 -11.100) 15.202 37.639 ( -8.150 -6.063 -10.796) 14.824 37.916 ( 3.873 1.062 10.330) 11.083 37.954 ( 2.506 -2.098 8.780) 9.369 37.994 ( -3.472 0.742 9.349) 10.000 38.016 ( -3.069 -0.836 8.575) 9.146 38.667 ( 2.589 6.829 21.751) 22.944 38.703 ( -0.485 7.230 20.167) 21.429 38.897 ( 3.287 -11.480 22.120) 25.138 38.967 ( -3.288 -14.552 21.093) 25.836 39.642 ( 8.208 14.632 26.869) 31.677 39.836 ( -4.250 16.405 29.534) 34.051 39.971 ( 5.364 -4.009 29.684) 30.430 40.350 ( -25.980 -17.967 31.185) 44.388 ======================= Grid point 45 (19/36) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 0.000 0.000 42.171) 42.171 2.945 ( 0.000 0.000 45.868) 45.868 3.776 ( 0.000 0.000 12.548) 12.548 4.364 ( 0.000 0.000 24.040) 24.040 4.418 ( 0.000 0.000 10.691) 10.691 4.479 ( 0.000 0.000 23.744) 23.744 4.496 ( 0.000 0.000 13.143) 13.143 4.501 ( 0.000 0.000 26.042) 26.042 4.591 ( 0.000 0.000 14.893) 14.893 5.000 ( 0.000 0.000 10.263) 10.263 5.009 ( 0.000 0.000 7.951) 7.951 5.138 ( 0.000 0.000 10.806) 10.806 5.265 ( 0.000 0.000 -0.409) 0.409 5.470 ( 0.000 0.000 -0.290) 0.290 5.663 ( 0.000 0.000 10.769) 10.769 5.724 ( 0.000 0.000 -2.272) 2.272 5.781 ( 0.000 0.000 6.540) 6.540 5.784 ( 0.000 0.000 16.452) 16.452 5.801 ( 0.000 0.000 12.092) 12.092 5.973 ( 0.000 0.000 17.753) 17.753 6.268 ( 0.000 0.000 2.167) 2.167 6.327 ( 0.000 0.000 4.780) 4.780 6.424 ( 0.000 0.000 25.153) 25.153 6.453 ( 0.000 0.000 1.848) 1.848 6.465 ( 0.000 0.000 9.051) 9.051 6.647 ( 0.000 0.000 -3.928) 3.928 6.666 ( 0.000 0.000 -6.563) 6.563 6.771 ( 0.000 0.000 7.150) 7.150 6.795 ( 0.000 0.000 1.030) 1.030 6.886 ( 0.000 0.000 -4.927) 4.927 6.890 ( 0.000 0.000 2.363) 2.363 7.009 ( 0.000 0.000 -1.804) 1.804 7.057 ( 0.000 0.000 -1.111) 1.111 7.100 ( 0.000 0.000 -7.169) 7.169 7.149 ( 0.000 0.000 -7.824) 7.824 7.182 ( 0.000 0.000 -0.017) 0.017 7.278 ( 0.000 0.000 10.237) 10.237 7.283 ( 0.000 0.000 36.749) 36.749 7.293 ( 0.000 0.000 6.018) 6.018 7.443 ( 0.000 0.000 -6.362) 6.362 7.576 ( 0.000 0.000 -3.569) 3.569 7.634 ( 0.000 0.000 3.815) 3.815 7.660 ( 0.000 0.000 1.900) 1.900 7.699 ( 0.000 0.000 -5.409) 5.409 7.775 ( 0.000 0.000 3.325) 3.325 7.809 ( 0.000 0.000 -12.434) 12.434 7.825 ( 0.000 0.000 -0.689) 0.689 7.841 ( 0.000 0.000 3.391) 3.391 8.003 ( 0.000 0.000 2.834) 2.834 8.069 ( 0.000 0.000 2.214) 2.214 8.141 ( 0.000 0.000 2.799) 2.799 8.211 ( 0.000 0.000 -2.373) 2.373 8.240 ( 0.000 0.000 -5.275) 5.275 8.240 ( 0.000 0.000 -8.512) 8.512 8.262 ( 0.000 0.000 -23.096) 23.096 8.388 ( 0.000 0.000 -5.737) 5.737 8.490 ( 0.000 0.000 -0.134) 0.134 8.540 ( 0.000 0.000 2.018) 2.018 8.619 ( 0.000 0.000 -8.728) 8.728 8.703 ( 0.000 0.000 -10.928) 10.928 8.783 ( 0.000 0.000 2.111) 2.111 8.788 ( 0.000 0.000 5.483) 5.483 8.975 ( 0.000 0.000 -5.905) 5.905 9.031 ( 0.000 0.000 -2.505) 2.505 9.089 ( 0.000 0.000 2.029) 2.029 9.207 ( 0.000 0.000 -9.075) 9.075 9.244 ( 0.000 0.000 -2.667) 2.667 9.253 ( 0.000 0.000 -1.793) 1.793 9.379 ( 0.000 0.000 3.930) 3.930 9.422 ( 0.000 0.000 -2.190) 2.190 9.497 ( 0.000 0.000 -8.483) 8.483 9.497 ( 0.000 0.000 -4.644) 4.644 9.656 ( 0.000 0.000 -12.218) 12.218 9.660 ( 0.000 0.000 4.189) 4.189 9.663 ( 0.000 0.000 -9.731) 9.731 9.733 ( 0.000 0.000 -1.579) 1.579 9.797 ( 0.000 0.000 3.201) 3.201 9.873 ( 0.000 0.000 -12.419) 12.419 9.884 ( 0.000 0.000 3.314) 3.314 10.006 ( 0.000 0.000 -2.311) 2.311 10.016 ( 0.000 0.000 -3.293) 3.293 10.033 ( 0.000 0.000 -1.663) 1.663 10.044 ( 0.000 0.000 -7.904) 7.904 10.276 ( 0.000 0.000 5.341) 5.341 10.324 ( 0.000 0.000 0.764) 0.764 10.368 ( 0.000 0.000 6.949) 6.949 10.377 ( 0.000 0.000 -7.591) 7.591 10.440 ( 0.000 0.000 -2.024) 2.024 10.512 ( 0.000 0.000 -3.038) 3.038 10.537 ( 0.000 0.000 1.783) 1.783 10.659 ( 0.000 0.000 -2.120) 2.120 10.730 ( 0.000 0.000 -5.175) 5.175 10.774 ( 0.000 0.000 -0.110) 0.110 10.959 ( 0.000 0.000 7.706) 7.706 10.967 ( 0.000 0.000 -3.800) 3.800 11.007 ( 0.000 0.000 1.693) 1.693 11.039 ( 0.000 0.000 2.259) 2.259 11.059 ( 0.000 0.000 4.751) 4.751 11.157 ( 0.000 0.000 -1.503) 1.503 11.251 ( 0.000 0.000 -1.388) 1.388 11.354 ( 0.000 0.000 -0.578) 0.578 11.438 ( 0.000 0.000 2.369) 2.369 11.503 ( 0.000 0.000 0.286) 0.286 11.552 ( 0.000 0.000 1.672) 1.672 11.668 ( 0.000 0.000 6.842) 6.842 11.702 ( 0.000 0.000 3.475) 3.475 11.730 ( 0.000 0.000 3.480) 3.480 11.786 ( 0.000 0.000 -2.556) 2.556 11.797 ( 0.000 0.000 6.736) 6.736 11.841 ( 0.000 0.000 11.207) 11.207 11.874 ( 0.000 0.000 7.701) 7.701 12.036 ( 0.000 0.000 -6.326) 6.326 12.153 ( 0.000 0.000 4.719) 4.719 12.270 ( 0.000 0.000 4.268) 4.268 12.276 ( 0.000 0.000 -3.329) 3.329 12.408 ( 0.000 0.000 3.007) 3.007 12.425 ( 0.000 0.000 3.221) 3.221 12.426 ( 0.000 0.000 -0.571) 0.571 12.490 ( 0.000 0.000 -0.504) 0.504 12.613 ( 0.000 0.000 -1.209) 1.209 12.725 ( 0.000 0.000 -1.379) 1.379 12.738 ( 0.000 0.000 -5.267) 5.267 12.762 ( 0.000 0.000 -1.462) 1.462 12.784 ( 0.000 0.000 -5.684) 5.684 12.997 ( 0.000 0.000 1.344) 1.344 13.033 ( 0.000 0.000 -1.850) 1.850 13.065 ( 0.000 0.000 0.336) 0.336 13.174 ( 0.000 0.000 5.405) 5.405 13.250 ( 0.000 0.000 -14.374) 14.374 13.310 ( 0.000 0.000 -3.922) 3.922 13.416 ( 0.000 0.000 -2.797) 2.797 13.485 ( 0.000 0.000 -5.124) 5.124 13.593 ( 0.000 0.000 -7.871) 7.871 13.663 ( 0.000 0.000 -6.917) 6.917 13.691 ( 0.000 0.000 -0.606) 0.606 13.842 ( 0.000 0.000 -26.687) 26.687 14.154 ( 0.000 0.000 -12.097) 12.097 14.179 ( 0.000 0.000 -13.258) 13.258 14.358 ( 0.000 0.000 -14.193) 14.193 14.388 ( 0.000 0.000 -23.368) 23.368 14.548 ( 0.000 0.000 -0.380) 0.380 14.667 ( 0.000 0.000 -0.105) 0.105 14.991 ( 0.000 0.000 0.093) 0.093 15.866 ( 0.000 0.000 -25.072) 25.072 16.782 ( 0.000 0.000 8.977) 8.977 16.930 ( 0.000 0.000 7.475) 7.475 17.052 ( 0.000 0.000 4.082) 4.082 17.186 ( 0.000 0.000 3.557) 3.557 17.275 ( 0.000 0.000 6.112) 6.112 17.309 ( 0.000 0.000 3.418) 3.418 17.381 ( 0.000 0.000 4.299) 4.299 17.439 ( 0.000 0.000 3.984) 3.984 17.527 ( 0.000 0.000 1.764) 1.764 17.580 ( 0.000 0.000 4.735) 4.735 17.728 ( 0.000 0.000 4.944) 4.944 18.024 ( 0.000 0.000 1.599) 1.599 18.725 ( 0.000 0.000 -12.648) 12.648 18.791 ( 0.000 0.000 -8.642) 8.642 18.825 ( 0.000 0.000 -12.893) 12.893 18.923 ( 0.000 0.000 -9.729) 9.729 19.253 ( 0.000 0.000 -12.513) 12.513 19.361 ( 0.000 0.000 -12.839) 12.839 19.371 ( 0.000 0.000 -9.411) 9.411 19.481 ( 0.000 0.000 -5.456) 5.456 19.501 ( 0.000 0.000 -11.721) 11.721 19.543 ( 0.000 0.000 -12.591) 12.591 19.688 ( 0.000 0.000 -7.692) 7.692 19.922 ( 0.000 0.000 -3.005) 3.005 20.713 ( 0.000 0.000 2.308) 2.308 20.729 ( 0.000 0.000 1.240) 1.240 20.934 ( 0.000 0.000 5.558) 5.558 21.274 ( 0.000 0.000 0.067) 0.067 21.419 ( 0.000 0.000 2.379) 2.379 21.645 ( 0.000 0.000 -2.830) 2.830 21.775 ( 0.000 0.000 -1.274) 1.274 21.818 ( 0.000 0.000 -2.791) 2.791 21.853 ( 0.000 0.000 -4.028) 4.028 21.974 ( 0.000 0.000 -3.581) 3.581 22.299 ( 0.000 0.000 -3.251) 3.251 22.385 ( 0.000 0.000 -6.627) 6.627 26.545 ( 0.000 0.000 2.231) 2.231 26.556 ( 0.000 0.000 2.211) 2.211 26.580 ( 0.000 0.000 2.446) 2.446 26.585 ( 0.000 0.000 2.761) 2.761 26.868 ( 0.000 0.000 2.099) 2.099 26.896 ( 0.000 0.000 2.188) 2.188 26.926 ( 0.000 0.000 0.139) 0.139 26.932 ( 0.000 0.000 0.358) 0.358 27.511 ( 0.000 0.000 1.936) 1.936 27.536 ( 0.000 0.000 1.934) 1.934 27.593 ( 0.000 0.000 1.745) 1.745 27.595 ( 0.000 0.000 2.166) 2.166 34.828 ( 0.000 0.000 4.164) 4.164 35.312 ( 0.000 0.000 12.231) 12.231 35.346 ( 0.000 0.000 -4.569) 4.569 35.385 ( 0.000 0.000 -4.279) 4.279 35.569 ( 0.000 0.000 5.852) 5.852 35.672 ( 0.000 0.000 -5.932) 5.932 35.845 ( 0.000 0.000 1.700) 1.700 36.849 ( 0.000 0.000 -17.019) 17.019 36.907 ( 0.000 0.000 -4.915) 4.915 36.988 ( 0.000 0.000 -4.178) 4.178 37.100 ( 0.000 0.000 -7.927) 7.927 37.622 ( 0.000 0.000 -15.652) 15.652 38.043 ( 0.000 0.000 11.420) 11.420 38.142 ( 0.000 0.000 9.187) 9.187 38.232 ( 0.000 0.000 8.209) 8.209 38.260 ( 0.000 0.000 8.730) 8.730 38.988 ( 0.000 0.000 22.092) 22.092 39.033 ( 0.000 0.000 20.413) 20.413 39.434 ( 0.000 0.000 28.030) 28.030 39.856 ( 0.000 0.000 19.795) 19.795 39.922 ( 0.000 0.000 24.293) 24.293 40.017 ( 0.000 0.000 18.073) 18.073 40.336 ( 0.000 0.000 22.349) 22.349 41.682 ( 0.000 0.000 -5.516) 5.516 ======================= Grid point 46 (20/36) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 11.866 0.000 43.054) 44.660 3.079 ( 23.815 0.000 37.394) 44.333 3.866 ( 8.669 0.000 14.462) 16.861 4.209 ( -16.709 0.000 18.166) 24.682 4.364 ( 1.615 0.000 26.784) 26.832 4.512 ( -0.169 0.000 11.982) 11.983 4.543 ( 3.809 0.000 15.680) 16.136 4.599 ( 8.943 0.000 22.949) 24.630 4.658 ( 4.006 0.000 12.164) 12.807 4.773 ( -11.797 0.000 19.555) 22.838 4.917 ( -14.897 0.000 11.772) 18.987 5.105 ( -2.204 0.000 8.586) 8.864 5.269 ( -16.710 0.000 10.791) 19.892 5.358 ( 5.108 0.000 -3.214) 6.035 5.595 ( -6.011 0.000 3.386) 6.899 5.661 ( 2.777 0.000 11.230) 11.569 5.712 ( -3.313 0.000 5.956) 6.815 5.908 ( 7.752 0.000 5.967) 9.782 5.930 ( 4.530 0.000 6.132) 7.624 6.080 ( 5.365 0.000 10.076) 11.415 6.251 ( -2.588 0.000 12.137) 12.410 6.307 ( -0.953 0.000 1.870) 2.099 6.354 ( -5.101 0.000 5.114) 7.224 6.381 ( 0.676 0.000 1.476) 1.623 6.441 ( -8.120 0.000 1.541) 8.265 6.608 ( 2.292 0.000 13.966) 14.153 6.679 ( 2.615 0.000 -1.749) 3.146 6.751 ( -8.154 0.000 4.636) 9.380 6.846 ( 3.140 0.000 0.144) 3.143 6.927 ( 6.220 0.000 1.696) 6.447 6.931 ( 4.696 0.000 -3.154) 5.657 7.035 ( 4.017 0.000 5.592) 6.885 7.076 ( -1.785 0.000 -14.089) 14.202 7.088 ( -5.008 0.000 1.281) 5.169 7.172 ( 2.052 0.000 1.103) 2.329 7.211 ( -6.500 0.000 14.108) 15.534 7.239 ( 5.366 0.000 -2.987) 6.142 7.266 ( 3.153 0.000 1.471) 3.480 7.442 ( 1.870 0.000 -1.839) 2.623 7.463 ( 9.750 0.000 10.250) 14.147 7.483 ( -12.635 0.000 -3.679) 13.160 7.533 ( -10.404 0.000 -2.744) 10.760 7.631 ( -2.958 0.000 8.601) 9.095 7.701 ( 5.199 0.000 2.106) 5.609 7.731 ( -6.321 0.000 -4.062) 7.514 7.760 ( 1.514 0.000 -2.661) 3.061 7.784 ( -4.815 0.000 17.680) 18.324 7.864 ( -0.201 0.000 2.801) 2.808 7.989 ( 10.546 0.000 -1.919) 10.719 8.009 ( -4.025 0.000 9.856) 10.646 8.128 ( -3.582 0.000 -17.043) 17.415 8.136 ( -5.506 0.000 -4.044) 6.832 8.233 ( 7.995 0.000 -6.686) 10.422 8.346 ( 7.863 0.000 -5.587) 9.646 8.353 ( -1.743 0.000 -8.418) 8.597 8.416 ( 2.399 0.000 -3.429) 4.185 8.508 ( 4.629 0.000 -7.822) 9.089 8.537 ( -4.128 0.000 -1.312) 4.331 8.631 ( -11.007 0.000 3.923) 11.686 8.730 ( 11.774 0.000 -2.808) 12.105 8.811 ( 8.184 0.000 -10.173) 13.056 8.929 ( 4.503 0.000 5.788) 7.333 8.956 ( -3.070 0.000 -9.096) 9.600 8.973 ( -1.371 0.000 -6.686) 6.825 9.146 ( -8.539 0.000 -1.123) 8.613 9.207 ( 2.733 0.000 -3.685) 4.588 9.237 ( 1.561 0.000 -3.520) 3.850 9.265 ( -4.111 0.000 -0.582) 4.152 9.361 ( -2.201 0.000 -6.366) 6.736 9.368 ( 0.482 0.000 -5.016) 5.039 9.442 ( -4.358 0.000 -5.265) 6.835 9.492 ( 7.817 0.000 -3.357) 8.508 9.602 ( -2.042 0.000 -3.580) 4.121 9.604 ( -6.995 0.000 5.350) 8.807 9.670 ( -1.395 0.000 4.890) 5.085 9.733 ( -2.450 0.000 -6.815) 7.242 9.795 ( 3.423 0.000 -1.136) 3.606 9.885 ( -0.449 0.000 -1.154) 1.238 9.932 ( -5.187 0.000 -0.450) 5.206 9.941 ( 3.298 0.000 -7.848) 8.513 9.974 ( 1.844 0.000 -9.171) 9.354 10.084 ( -0.102 0.000 -5.664) 5.665 10.091 ( 3.066 0.000 -1.433) 3.384 10.295 ( 0.775 0.000 0.474) 0.908 10.306 ( 0.539 0.000 -1.083) 1.210 10.383 ( 1.045 0.000 -4.984) 5.092 10.409 ( 1.955 0.000 -2.898) 3.496 10.507 ( 7.677 0.000 3.936) 8.627 10.584 ( 4.029 0.000 -0.776) 4.103 10.608 ( 5.158 0.000 -1.574) 5.393 10.638 ( 1.314 0.000 -2.275) 2.628 10.737 ( -9.082 0.000 3.006) 9.567 10.831 ( 5.566 0.000 -3.218) 6.429 10.834 ( 2.070 0.000 1.523) 2.570 10.947 ( -3.413 0.000 5.821) 6.748 10.992 ( 0.149 0.000 -0.056) 0.160 11.076 ( 1.710 0.000 1.944) 2.589 11.149 ( -0.954 0.000 -1.314) 1.624 11.191 ( 7.940 0.000 -0.622) 7.964 11.301 ( -0.181 0.000 -0.938) 0.956 11.364 ( 1.087 0.000 1.874) 2.166 11.397 ( -4.834 0.000 -1.625) 5.100 11.434 ( -1.380 0.000 2.284) 2.669 11.567 ( 3.528 0.000 5.253) 6.327 11.613 ( -2.878 0.000 6.198) 6.833 11.699 ( -1.444 0.000 2.701) 3.063 11.744 ( -4.696 0.000 6.579) 8.083 11.761 ( 1.763 0.000 1.989) 2.657 11.782 ( 1.195 0.000 -1.112) 1.633 11.905 ( 3.276 0.000 3.162) 4.553 11.945 ( 5.307 0.000 8.811) 10.285 12.060 ( -0.024 0.000 -2.995) 2.995 12.191 ( 1.067 0.000 5.273) 5.380 12.218 ( -4.375 0.000 -2.672) 5.126 12.291 ( 4.454 0.000 3.238) 5.507 12.372 ( -2.335 0.000 0.422) 2.372 12.427 ( 1.980 0.000 2.766) 3.402 12.486 ( 5.859 0.000 1.739) 6.112 12.530 ( -0.592 0.000 -2.023) 2.108 12.604 ( 0.320 0.000 1.941) 1.967 12.698 ( -1.107 0.000 -2.184) 2.448 12.701 ( -5.882 0.000 -6.101) 8.475 12.726 ( -1.518 0.000 -2.168) 2.647 12.773 ( -1.010 0.000 0.346) 1.067 13.013 ( 1.867 0.000 -1.397) 2.332 13.024 ( -0.465 0.000 -2.422) 2.466 13.037 ( -3.768 0.000 0.325) 3.782 13.130 ( -3.255 0.000 1.712) 3.678 13.205 ( -1.112 0.000 -10.713) 10.771 13.311 ( 0.133 0.000 -3.718) 3.721 13.435 ( -4.190 0.000 -6.695) 7.898 13.488 ( 1.005 0.000 -8.106) 8.168 13.591 ( 2.607 0.000 -3.869) 4.665 13.719 ( 5.109 0.000 -7.727) 9.263 13.758 ( 6.235 0.000 -5.417) 8.259 13.905 ( 4.920 0.000 -22.107) 22.648 14.101 ( -4.634 0.000 -10.789) 11.742 14.179 ( -0.708 0.000 -13.314) 13.332 14.280 ( -5.528 0.000 -17.144) 18.013 14.380 ( -2.362 0.000 -21.429) 21.559 14.576 ( 2.717 0.000 0.054) 2.717 14.661 ( -0.440 0.000 -0.201) 0.484 14.971 ( -1.220 0.000 -0.413) 1.288 15.652 ( -18.425 0.000 -18.678) 26.236 16.812 ( 2.808 0.000 8.640) 9.085 16.982 ( 4.917 0.000 7.220) 8.736 17.027 ( -2.411 0.000 4.978) 5.531 17.227 ( 1.585 0.000 2.404) 2.879 17.289 ( 1.424 0.000 4.947) 5.148 17.333 ( 1.826 0.000 3.430) 3.886 17.411 ( 3.443 0.000 3.889) 5.194 17.465 ( 2.435 0.000 4.627) 5.228 17.545 ( 1.455 0.000 0.631) 1.586 17.590 ( 1.126 0.000 4.087) 4.239 17.714 ( -1.225 0.000 5.270) 5.410 17.970 ( -5.184 0.000 2.387) 5.707 18.726 ( 0.341 0.000 -12.203) 12.207 18.805 ( 1.372 0.000 -8.632) 8.741 18.818 ( -0.862 0.000 -12.463) 12.493 18.914 ( -0.929 0.000 -9.551) 9.596 19.252 ( 0.159 0.000 -11.818) 11.819 19.373 ( 0.328 0.000 -9.075) 9.081 19.379 ( 1.281 0.000 -12.689) 12.753 19.459 ( -1.897 0.000 -5.867) 6.166 19.467 ( -3.069 0.000 -10.901) 11.325 19.535 ( -0.997 0.000 -12.797) 12.836 19.689 ( 0.093 0.000 -7.367) 7.368 19.826 ( -7.081 0.000 -1.215) 7.185 20.721 ( 0.700 0.000 1.955) 2.077 20.734 ( 0.457 0.000 1.281) 1.360 20.963 ( 2.852 0.000 5.229) 5.957 21.258 ( -3.624 0.000 -0.514) 3.660 21.470 ( 6.502 0.000 -0.001) 6.502 21.702 ( 3.621 0.000 -3.923) 5.338 21.781 ( 0.539 0.000 -1.481) 1.576 21.816 ( -0.237 0.000 -2.715) 2.725 21.869 ( 2.045 0.000 -4.192) 4.664 21.993 ( 1.636 0.000 -3.799) 4.136 22.278 ( -1.928 0.000 -3.682) 4.156 22.349 ( -3.337 0.000 -6.517) 7.322 26.546 ( 0.081 0.000 2.196) 2.198 26.557 ( -0.018 0.000 2.171) 2.171 26.579 ( -0.060 0.000 2.539) 2.539 26.584 ( -0.078 0.000 2.654) 2.656 26.877 ( 0.826 0.000 1.820) 1.999 26.903 ( 0.634 0.000 1.956) 2.056 26.925 ( -0.161 0.000 0.232) 0.283 26.932 ( -0.002 0.000 0.442) 0.442 27.516 ( 0.454 0.000 1.995) 2.046 27.542 ( 0.591 0.000 1.883) 1.973 27.582 ( -1.030 0.000 2.124) 2.361 27.589 ( -0.525 0.000 1.853) 1.926 34.874 ( 4.424 0.000 4.500) 6.311 35.235 ( -5.061 0.000 6.918) 8.571 35.408 ( 2.790 0.000 -3.234) 4.271 35.408 ( 3.529 0.000 1.113) 3.700 35.557 ( -1.168 0.000 5.422) 5.547 35.709 ( -0.751 0.000 -2.651) 2.755 35.911 ( 9.819 0.000 -4.888) 10.968 36.764 ( -8.422 0.000 -16.760) 18.757 36.908 ( 0.154 0.000 -4.686) 4.689 36.964 ( -1.691 0.000 -4.200) 4.528 37.163 ( 5.561 0.000 -8.947) 10.534 37.577 ( -4.427 0.000 -15.343) 15.969 38.066 ( 2.211 0.000 11.274) 11.489 38.146 ( 0.567 0.000 9.612) 9.629 38.221 ( -1.183 0.000 8.597) 8.678 38.246 ( -1.386 0.000 8.850) 8.958 38.997 ( 0.817 0.000 21.584) 21.599 39.037 ( 0.318 0.000 20.396) 20.398 39.484 ( 4.917 0.000 27.006) 27.450 39.835 ( -1.015 0.000 21.018) 21.043 39.932 ( -0.474 0.000 22.118) 22.123 39.954 ( -6.045 0.000 19.106) 20.039 40.386 ( 6.102 0.000 23.341) 24.125 41.468 ( -19.568 0.000 2.062) 19.676 ======================= Grid point 47 (21/36) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 19.731 0.000 36.265) 41.285 3.645 ( 29.720 0.000 29.256) 41.704 3.813 ( -21.819 0.000 27.790) 35.331 4.051 ( 1.374 0.000 19.375) 19.424 4.330 ( -8.217 0.000 19.572) 21.226 4.465 ( 7.656 0.000 22.859) 24.107 4.550 ( -18.467 0.000 17.779) 25.635 4.573 ( -1.526 0.000 11.778) 11.876 4.739 ( 4.935 0.000 11.637) 12.640 4.748 ( 5.039 0.000 14.631) 15.475 4.794 ( 5.642 0.000 15.173) 16.188 4.929 ( -15.045 0.000 15.684) 21.733 5.080 ( 4.216 0.000 9.701) 10.578 5.301 ( -11.073 0.000 1.596) 11.187 5.550 ( 1.387 0.000 6.118) 6.274 5.624 ( -5.013 0.000 11.757) 12.781 5.817 ( 11.096 0.000 2.927) 11.476 5.976 ( -2.132 0.000 -0.896) 2.313 5.998 ( 3.464 0.000 0.746) 3.544 6.086 ( -4.442 0.000 1.292) 4.626 6.210 ( -2.670 0.000 2.224) 3.475 6.258 ( -7.458 0.000 -4.003) 8.465 6.308 ( 4.983 0.000 3.549) 6.118 6.351 ( 6.599 0.000 15.048) 16.432 6.409 ( -2.862 0.000 -0.105) 2.863 6.546 ( -11.047 0.000 12.408) 16.613 6.713 ( 8.399 0.000 24.148) 25.567 6.820 ( 8.576 0.000 -5.873) 10.395 6.882 ( 1.942 0.000 -4.401) 4.810 6.904 ( -7.236 0.000 9.956) 12.308 7.026 ( -0.156 0.000 -5.513) 5.515 7.044 ( 0.526 0.000 -7.530) 7.548 7.046 ( -0.555 0.000 -2.970) 3.022 7.102 ( 4.047 0.000 3.893) 5.615 7.124 ( -5.767 0.000 4.578) 7.363 7.197 ( -1.851 0.000 -2.955) 3.487 7.232 ( -2.140 0.000 -5.071) 5.504 7.286 ( -1.514 0.000 -1.768) 2.328 7.319 ( 2.102 0.000 -2.654) 3.385 7.378 ( -3.666 0.000 7.487) 8.336 7.437 ( -0.002 0.000 -5.049) 5.049 7.523 ( -9.350 0.000 -2.378) 9.647 7.578 ( -0.157 0.000 2.900) 2.904 7.656 ( -7.048 0.000 2.111) 7.357 7.722 ( 14.228 0.000 15.807) 21.267 7.800 ( 4.652 0.000 14.375) 15.109 7.867 ( 4.641 0.000 0.475) 4.665 7.897 ( -4.428 0.000 7.271) 8.513 8.064 ( -2.399 0.000 -12.114) 12.349 8.109 ( 12.925 0.000 4.707) 13.755 8.144 ( -11.181 0.000 1.779) 11.322 8.162 ( 8.008 0.000 -6.144) 10.093 8.274 ( -3.671 0.000 -4.459) 5.776 8.312 ( 16.303 0.000 -0.107) 16.303 8.386 ( -7.758 0.000 -3.085) 8.348 8.491 ( 5.094 0.000 0.352) 5.106 8.517 ( 0.899 0.000 -3.222) 3.345 8.569 ( 5.777 0.000 2.973) 6.497 8.592 ( 0.915 0.000 -11.488) 11.525 8.750 ( -4.123 0.000 -5.641) 6.987 8.751 ( -18.621 0.000 -4.199) 19.088 8.870 ( -6.467 0.000 -0.093) 6.468 8.977 ( 4.373 0.000 -2.350) 4.964 9.018 ( 5.252 0.000 -1.043) 5.355 9.044 ( -0.606 0.000 -7.853) 7.876 9.147 ( -5.547 0.000 -8.634) 10.263 9.156 ( -0.628 0.000 -6.659) 6.689 9.279 ( -7.359 0.000 -9.344) 11.894 9.313 ( 7.497 0.000 -3.272) 8.180 9.449 ( -6.232 0.000 0.822) 6.286 9.459 ( 5.190 0.000 -1.187) 5.324 9.511 ( 6.012 0.000 -1.622) 6.227 9.556 ( -3.676 0.000 -1.426) 3.943 9.589 ( -0.901 0.000 -2.362) 2.528 9.717 ( 6.397 0.000 4.852) 8.029 9.723 ( 3.207 0.000 -2.517) 4.077 9.820 ( -3.879 0.000 -0.668) 3.937 9.847 ( -7.868 0.000 -2.400) 8.226 9.855 ( 2.950 0.000 0.288) 2.964 9.938 ( -0.150 0.000 2.560) 2.564 10.070 ( 4.062 0.000 -13.491) 14.090 10.116 ( 0.612 0.000 -14.659) 14.671 10.119 ( 3.435 0.000 -5.462) 6.453 10.244 ( -5.619 0.000 -5.926) 8.166 10.358 ( 4.164 0.000 2.485) 4.850 10.403 ( 0.264 0.000 0.503) 0.568 10.470 ( 3.588 0.000 -0.633) 3.643 10.560 ( -6.336 0.000 3.377) 7.180 10.607 ( 1.100 0.000 -4.846) 4.969 10.653 ( -1.257 0.000 -4.549) 4.719 10.699 ( 9.256 0.000 3.258) 9.813 10.746 ( 4.794 0.000 -1.078) 4.913 10.807 ( -2.427 0.000 3.278) 4.079 10.847 ( -5.179 0.000 0.466) 5.200 10.986 ( 6.529 0.000 4.324) 7.831 11.041 ( 3.331 0.000 -0.579) 3.381 11.098 ( -1.787 0.000 -3.808) 4.206 11.128 ( -8.406 0.000 5.369) 9.974 11.176 ( 6.666 0.000 0.821) 6.717 11.342 ( -7.866 0.000 1.462) 8.001 11.358 ( 4.062 0.000 0.166) 4.066 11.383 ( 1.409 0.000 -2.089) 2.520 11.458 ( 6.344 0.000 0.575) 6.370 11.580 ( -4.576 0.000 4.466) 6.394 11.599 ( 1.242 0.000 6.264) 6.386 11.650 ( -3.877 0.000 6.800) 7.827 11.702 ( 2.621 0.000 2.030) 3.315 11.765 ( -0.269 0.000 -1.276) 1.304 11.841 ( 2.818 0.000 -1.238) 3.078 11.919 ( -2.958 0.000 -4.747) 5.593 12.028 ( 1.199 0.000 1.313) 1.778 12.061 ( 6.001 0.000 9.496) 11.233 12.118 ( -5.690 0.000 -0.185) 5.693 12.162 ( -3.601 0.000 7.580) 8.392 12.360 ( 3.012 0.000 -1.348) 3.300 12.448 ( 4.141 0.000 2.760) 4.976 12.461 ( -1.065 0.000 0.296) 1.106 12.491 ( 4.305 0.000 0.614) 4.348 12.577 ( -3.173 0.000 1.483) 3.502 12.586 ( -3.862 0.000 1.593) 4.177 12.647 ( 5.233 0.000 -1.635) 5.483 12.692 ( 0.292 0.000 -0.442) 0.530 12.715 ( -0.336 0.000 -1.862) 1.892 12.718 ( -2.846 0.000 1.652) 3.291 12.950 ( -1.867 0.000 -2.641) 3.234 13.005 ( -4.293 0.000 -2.919) 5.191 13.035 ( 1.742 0.000 -3.885) 4.257 13.078 ( -2.171 0.000 -3.127) 3.807 13.262 ( 6.602 0.000 -9.350) 11.446 13.317 ( 0.720 0.000 -4.476) 4.533 13.354 ( -3.235 0.000 -6.182) 6.977 13.404 ( -6.654 0.000 -8.398) 10.714 13.723 ( 8.192 0.000 -6.137) 10.236 13.845 ( 7.008 0.000 -9.375) 11.704 13.850 ( -1.294 0.000 -8.414) 8.513 13.955 ( -2.121 0.000 -13.341) 13.508 14.033 ( 1.471 0.000 -9.471) 9.585 14.128 ( -4.659 0.000 -11.236) 12.163 14.214 ( 1.080 0.000 -21.478) 21.505 14.298 ( -5.307 0.000 -22.315) 22.937 14.634 ( 2.144 0.000 -0.103) 2.147 14.654 ( -0.337 0.000 -0.401) 0.524 15.007 ( 6.756 0.000 -3.174) 7.464 15.264 ( -18.072 0.000 -9.641) 20.483 16.883 ( 4.071 0.000 7.738) 8.744 16.963 ( -3.786 0.000 6.467) 7.494 17.100 ( 6.180 0.000 6.177) 8.737 17.203 ( -3.665 0.000 4.239) 5.604 17.325 ( 1.953 0.000 3.830) 4.299 17.352 ( -0.331 0.000 3.212) 3.229 17.499 ( 4.368 0.000 1.956) 4.786 17.530 ( 3.974 0.000 5.040) 6.419 17.557 ( -1.018 0.000 0.161) 1.031 17.598 ( -1.823 0.000 3.487) 3.935 17.721 ( 3.558 0.000 5.462) 6.518 17.839 ( -7.175 0.000 3.958) 8.194 18.745 ( 1.666 0.000 -11.380) 11.501 18.787 ( -2.139 0.000 -11.489) 11.686 18.842 ( 2.207 0.000 -8.744) 9.018 18.885 ( -1.914 0.000 -9.116) 9.315 19.272 ( 2.136 0.000 -10.103) 10.326 19.343 ( -4.574 0.000 -9.195) 10.270 19.387 ( 1.087 0.000 -8.173) 8.245 19.418 ( -2.001 0.000 -6.952) 7.234 19.453 ( 2.096 0.000 -12.390) 12.566 19.501 ( -2.324 0.000 -12.714) 12.924 19.695 ( 0.663 0.000 -6.255) 6.290 19.725 ( -2.795 0.000 -3.693) 4.631 20.736 ( 0.584 0.000 1.471) 1.583 20.741 ( 0.086 0.000 1.309) 1.312 21.043 ( 5.062 0.000 4.000) 6.452 21.155 ( -5.858 0.000 1.959) 6.177 21.618 ( 6.865 0.000 -4.184) 8.039 21.716 ( -2.548 0.000 -5.069) 5.673 21.794 ( 0.756 0.000 -1.964) 2.105 21.808 ( -0.572 0.000 -2.440) 2.506 21.950 ( 5.178 0.000 -4.545) 6.890 22.015 ( -0.515 0.000 -4.327) 4.358 22.242 ( -0.832 0.000 -4.820) 4.892 22.272 ( -3.556 0.000 -5.952) 6.933 26.549 ( 0.233 0.000 2.151) 2.164 26.554 ( -0.225 0.000 2.132) 2.144 26.579 ( 0.068 0.000 2.585) 2.586 26.582 ( -0.158 0.000 2.590) 2.595 26.898 ( 1.138 0.000 1.165) 1.628 26.917 ( -0.702 0.000 0.560) 0.898 26.917 ( 0.755 0.000 1.397) 1.588 26.929 ( -0.377 0.000 0.798) 0.883 27.531 ( 1.056 0.000 2.087) 2.339 27.554 ( -0.496 0.000 1.858) 1.923 27.560 ( -0.024 0.000 2.151) 2.151 27.575 ( -0.833 0.000 1.836) 2.016 34.988 ( 6.637 0.000 5.417) 8.567 35.121 ( -6.368 0.000 6.425) 9.046 35.473 ( 2.936 0.000 2.417) 3.803 35.499 ( 6.042 0.000 -1.827) 6.312 35.524 ( -2.153 0.000 4.144) 4.670 35.626 ( -6.119 0.000 -0.794) 6.170 36.201 ( 16.974 0.000 -12.350) 20.991 36.527 ( -14.846 0.000 -15.575) 21.517 36.915 ( 0.626 0.000 -4.306) 4.351 36.934 ( -1.251 0.000 -4.143) 4.327 37.300 ( 7.776 0.000 -11.456) 13.846 37.455 ( -7.423 0.000 -13.927) 15.782 38.123 ( 3.236 0.000 10.663) 11.143 38.169 ( 1.686 0.000 9.806) 9.950 38.183 ( -2.583 0.000 9.593) 9.935 38.209 ( -2.151 0.000 9.332) 9.576 39.018 ( 1.219 0.000 20.734) 20.770 39.037 ( -0.497 0.000 20.350) 20.356 39.620 ( 8.336 0.000 24.539) 25.916 39.798 ( -9.034 0.000 21.613) 23.425 39.838 ( 1.467 0.000 21.406) 21.457 39.889 ( -3.175 0.000 21.317) 21.552 40.609 ( 16.313 0.000 22.034) 27.416 41.014 ( -23.393 0.000 14.710) 27.634 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 0.000 13.129 37.438) 39.674 3.199 ( 0.000 12.010 35.680) 37.647 3.491 ( 0.000 -8.304 30.842) 31.940 3.928 ( 0.000 -27.411 29.879) 40.547 4.468 ( 0.000 3.531 9.050) 9.714 4.525 ( 0.000 0.322 7.080) 7.087 4.615 ( 0.000 11.693 17.930) 21.406 4.771 ( 0.000 17.764 18.532) 25.671 4.837 ( 0.000 2.569 8.656) 9.029 4.932 ( 0.000 -0.260 11.563) 11.566 5.019 ( 0.000 -0.376 9.438) 9.446 5.158 ( 0.000 -9.991 4.302) 10.878 5.276 ( 0.000 9.981 7.573) 12.529 5.406 ( 0.000 -5.909 1.138) 6.017 5.593 ( 0.000 -4.042 15.532) 16.049 5.665 ( 0.000 -3.746 17.850) 18.239 5.772 ( 0.000 0.022 10.357) 10.357 5.842 ( 0.000 0.036 6.203) 6.203 5.907 ( 0.000 -0.799 17.268) 17.286 5.955 ( 0.000 4.531 1.333) 4.723 6.152 ( 0.000 -3.187 12.930) 13.317 6.240 ( 0.000 -2.221 27.606) 27.696 6.297 ( 0.000 -0.019 -0.719) 0.720 6.335 ( 0.000 -9.367 -0.327) 9.373 6.509 ( 0.000 -3.008 16.630) 16.900 6.531 ( 0.000 5.806 7.560) 9.533 6.600 ( 0.000 -11.859 3.443) 12.348 6.710 ( 0.000 -7.413 7.502) 10.547 6.768 ( 0.000 -0.082 -11.308) 11.308 6.821 ( 0.000 -7.179 3.406) 7.946 6.857 ( 0.000 0.871 1.110) 1.411 6.908 ( 0.000 -3.015 1.594) 3.410 7.136 ( 0.000 5.999 -17.561) 18.558 7.154 ( 0.000 6.999 3.427) 7.793 7.239 ( 0.000 -0.171 4.471) 4.474 7.273 ( 0.000 4.141 -0.323) 4.153 7.280 ( 0.000 -0.657 -2.276) 2.369 7.312 ( 0.000 2.981 -0.007) 2.981 7.356 ( 0.000 3.903 -0.757) 3.976 7.462 ( 0.000 -8.738 -5.955) 10.574 7.529 ( 0.000 0.134 -9.218) 9.219 7.588 ( 0.000 -0.023 3.345) 3.345 7.609 ( 0.000 -3.752 -5.011) 6.260 7.685 ( 0.000 -5.264 -0.245) 5.270 7.738 ( 0.000 11.077 7.908) 13.610 7.863 ( 0.000 4.492 -5.174) 6.852 7.883 ( 0.000 2.024 -2.575) 3.275 7.953 ( 0.000 -5.641 1.370) 5.805 8.034 ( 0.000 0.537 -1.799) 1.878 8.088 ( 0.000 -5.451 -7.361) 9.160 8.190 ( 0.000 12.534 0.600) 12.548 8.263 ( 0.000 6.585 -0.620) 6.614 8.276 ( 0.000 1.518 -0.339) 1.556 8.342 ( 0.000 10.253 -9.353) 13.878 8.356 ( 0.000 2.323 -12.081) 12.303 8.448 ( 0.000 0.471 2.105) 2.157 8.495 ( 0.000 -4.732 -1.985) 5.132 8.518 ( 0.000 10.386 -2.293) 10.636 8.555 ( 0.000 -3.096 8.702) 9.237 8.721 ( 0.000 -2.957 1.628) 3.375 8.735 ( 0.000 -2.824 -2.900) 4.048 8.781 ( 0.000 -10.194 -4.492) 11.139 8.865 ( 0.000 2.512 10.709) 11.000 8.919 ( 0.000 -5.510 0.436) 5.527 9.141 ( 0.000 4.861 -8.563) 9.847 9.185 ( 0.000 0.319 -9.398) 9.404 9.230 ( 0.000 -2.769 -11.053) 11.395 9.295 ( 0.000 -7.641 -2.461) 8.028 9.321 ( 0.000 3.629 -1.753) 4.030 9.398 ( 0.000 -2.839 -3.486) 4.496 9.488 ( 0.000 0.598 -3.114) 3.171 9.580 ( 0.000 -4.778 0.551) 4.810 9.624 ( 0.000 5.021 -1.391) 5.210 9.674 ( 0.000 2.128 -7.493) 7.789 9.714 ( 0.000 -1.613 -0.445) 1.673 9.732 ( 0.000 2.437 -5.949) 6.429 9.798 ( 0.000 2.656 -6.716) 7.222 9.831 ( 0.000 1.761 -4.700) 5.019 9.894 ( 0.000 -5.471 -2.031) 5.836 9.983 ( 0.000 -0.818 -2.777) 2.895 10.007 ( 0.000 6.110 0.562) 6.135 10.068 ( 0.000 2.403 -0.066) 2.404 10.177 ( 0.000 0.447 1.950) 2.001 10.216 ( 0.000 -6.495 -0.189) 6.498 10.276 ( 0.000 -1.236 0.137) 1.243 10.289 ( 0.000 -0.053 -2.289) 2.289 10.420 ( 0.000 0.256 -0.387) 0.464 10.472 ( 0.000 3.915 -0.298) 3.926 10.473 ( 0.000 -1.706 0.743) 1.861 10.514 ( 0.000 -0.676 -6.017) 6.054 10.583 ( 0.000 -1.840 -1.896) 2.642 10.646 ( 0.000 -6.759 1.495) 6.923 10.857 ( 0.000 1.414 -0.370) 1.461 10.948 ( 0.000 -2.668 -1.068) 2.874 10.949 ( 0.000 6.299 -2.255) 6.690 11.062 ( 0.000 2.735 0.282) 2.749 11.103 ( 0.000 -4.780 -2.131) 5.234 11.186 ( 0.000 -9.955 -5.972) 11.609 11.188 ( 0.000 9.781 0.004) 9.781 11.273 ( 0.000 15.600 3.213) 15.928 11.311 ( 0.000 -2.051 2.630) 3.335 11.396 ( 0.000 3.226 4.884) 5.854 11.518 ( 0.000 -4.209 4.360) 6.060 11.540 ( 0.000 -0.786 -2.181) 2.318 11.657 ( 0.000 -0.693 4.702) 4.752 11.665 ( 0.000 -0.846 2.094) 2.258 11.692 ( 0.000 -1.482 5.609) 5.801 11.788 ( 0.000 -7.901 4.674) 9.180 11.864 ( 0.000 -2.050 0.866) 2.226 11.915 ( 0.000 0.817 3.177) 3.280 11.971 ( 0.000 9.890 1.531) 10.008 11.978 ( 0.000 11.575 6.135) 13.100 12.168 ( 0.000 -6.600 3.785) 7.608 12.192 ( 0.000 0.536 2.742) 2.794 12.226 ( 0.000 -3.612 -1.535) 3.925 12.250 ( 0.000 -9.466 4.089) 10.312 12.438 ( 0.000 1.685 1.446) 2.221 12.513 ( 0.000 3.882 2.455) 4.593 12.532 ( 0.000 1.459 3.382) 3.683 12.566 ( 0.000 -5.213 -3.122) 6.076 12.629 ( 0.000 -2.215 1.056) 2.454 12.661 ( 0.000 -3.683 -1.584) 4.009 12.815 ( 0.000 2.618 -5.988) 6.536 12.844 ( 0.000 1.365 -4.771) 4.962 12.996 ( 0.000 1.410 0.628) 1.543 13.040 ( 0.000 -1.967 0.561) 2.046 13.127 ( 0.000 2.809 -1.003) 2.983 13.154 ( 0.000 -1.168 1.894) 2.225 13.302 ( 0.000 5.703 -13.582) 14.731 13.359 ( 0.000 3.735 -8.397) 9.190 13.505 ( 0.000 -0.074 -6.323) 6.324 13.518 ( 0.000 -4.666 -9.995) 11.031 13.539 ( 0.000 6.680 0.466) 6.696 13.626 ( 0.000 -1.036 -4.102) 4.231 13.690 ( 0.000 0.133 -4.930) 4.931 13.801 ( 0.000 -6.033 -17.844) 18.837 14.160 ( 0.000 2.147 -13.183) 13.356 14.168 ( 0.000 1.514 -13.774) 13.857 14.234 ( 0.000 -3.990 -14.831) 15.358 14.290 ( 0.000 -6.730 -18.812) 19.980 14.756 ( 0.000 5.939 -2.041) 6.280 14.828 ( 0.000 6.782 -2.882) 7.369 15.018 ( 0.000 11.859 -4.673) 12.747 15.530 ( 0.000 -24.621 -15.805) 29.258 16.821 ( 0.000 2.979 8.781) 9.272 16.891 ( 0.000 -2.842 8.059) 8.546 17.108 ( 0.000 3.037 3.868) 4.918 17.162 ( 0.000 -1.842 4.040) 4.440 17.303 ( 0.000 2.038 5.582) 5.942 17.336 ( 0.000 2.193 3.218) 3.894 17.350 ( 0.000 -2.013 5.115) 5.497 17.395 ( 0.000 -2.780 3.316) 4.327 17.585 ( 0.000 3.894 2.493) 4.624 17.660 ( 0.000 -0.746 1.736) 1.889 17.748 ( 0.000 7.242 2.774) 7.756 17.939 ( 0.000 -7.101 0.084) 7.102 18.760 ( 0.000 2.256 -11.324) 11.547 18.805 ( 0.000 -1.612 -11.950) 12.058 18.827 ( 0.000 3.155 -9.006) 9.542 18.898 ( 0.000 -2.341 -9.369) 9.657 19.271 ( 0.000 1.559 -12.249) 12.348 19.316 ( 0.000 -2.139 -11.746) 11.939 19.416 ( 0.000 1.892 -10.539) 10.707 19.452 ( 0.000 -1.471 -9.415) 9.529 19.544 ( 0.000 2.606 -7.967) 8.382 19.558 ( 0.000 1.165 -11.764) 11.822 19.661 ( 0.000 -1.324 -7.297) 7.416 19.746 ( 0.000 -9.456 -1.948) 9.654 20.781 ( 0.000 4.049 2.528) 4.774 20.867 ( 0.000 -1.542 3.987) 4.275 20.990 ( 0.000 13.910 -1.508) 13.991 21.237 ( 0.000 -4.851 -1.868) 5.198 21.424 ( 0.000 0.951 2.483) 2.659 21.518 ( 0.000 -7.985 -0.269) 7.990 21.774 ( 0.000 -0.445 -3.958) 3.983 21.774 ( 0.000 -0.128 -2.688) 2.691 21.951 ( 0.000 3.321 -2.761) 4.319 21.981 ( 0.000 0.147 -2.840) 2.843 22.314 ( 0.000 1.446 -4.149) 4.394 22.359 ( 0.000 -2.032 -5.873) 6.215 26.554 ( 0.000 0.707 2.408) 2.509 26.562 ( 0.000 0.389 2.319) 2.351 26.575 ( 0.000 -0.531 2.432) 2.490 26.575 ( 0.000 -0.663 2.539) 2.624 26.873 ( 0.000 0.376 2.046) 2.080 26.885 ( 0.000 -0.673 2.017) 2.126 26.932 ( 0.000 0.271 0.319) 0.418 26.934 ( 0.000 0.092 0.357) 0.369 27.517 ( 0.000 0.467 1.941) 1.996 27.529 ( 0.000 -0.514 1.940) 2.007 27.593 ( 0.000 0.029 1.858) 1.858 27.594 ( 0.000 -0.045 2.070) 2.070 34.933 ( 0.000 8.663 2.482) 9.012 35.170 ( 0.000 -11.256 -0.813) 11.286 35.365 ( 0.000 3.854 9.618) 10.362 35.410 ( 0.000 0.937 0.197) 0.957 35.574 ( 0.000 -0.507 1.942) 2.007 35.618 ( 0.000 -3.802 -4.738) 6.075 36.027 ( 0.000 14.458 -2.286) 14.638 36.421 ( 0.000 -19.774 -7.393) 21.110 37.019 ( 0.000 3.040 -5.235) 6.054 37.079 ( 0.000 -1.891 -7.196) 7.441 37.295 ( 0.000 15.300 -14.046) 20.770 37.548 ( 0.000 -7.032 -15.939) 17.421 38.054 ( 0.000 1.133 11.542) 11.598 38.100 ( 0.000 -2.749 10.778) 11.123 38.241 ( 0.000 0.648 8.298) 8.323 38.254 ( 0.000 -0.474 8.530) 8.543 39.074 ( 0.000 6.638 22.573) 23.529 39.121 ( 0.000 6.639 21.600) 22.597 39.312 ( 0.000 -6.582 23.792) 24.685 39.477 ( 0.000 -17.895 21.043) 27.623 39.991 ( 0.000 8.894 23.059) 24.715 40.163 ( 0.000 -4.918 25.211) 25.686 40.718 ( 0.000 29.997 13.591) 32.932 41.374 ( 0.000 -24.946 2.356) 25.057 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.20 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 15.451 10.727 37.397) 41.861 3.361 ( 15.897 9.783 31.780) 36.856 3.601 ( 10.794 -5.700 30.529) 32.879 4.027 ( 8.875 -24.497 26.537) 37.190 4.325 ( -12.201 8.497 16.233) 22.013 4.511 ( -4.216 -5.087 10.854) 12.707 4.650 ( -3.029 9.982 16.205) 19.272 4.709 ( -2.129 7.393 18.515) 20.049 4.803 ( -9.656 2.950 13.288) 16.688 4.876 ( -0.446 -3.254 7.883) 8.540 4.953 ( 1.202 12.683 13.498) 18.561 5.161 ( -6.815 7.929 9.002) 13.797 5.272 ( 1.351 -4.487 0.646) 4.730 5.329 ( -3.617 -8.039 5.797) 10.551 5.497 ( -11.901 3.301 6.667) 14.035 5.621 ( 1.578 -0.900 10.784) 10.936 5.718 ( 3.103 -6.494 14.269) 15.982 5.749 ( -8.377 -13.925 8.499) 18.339 5.970 ( 0.446 0.858 0.179) 0.983 6.053 ( 1.483 -4.464 6.708) 8.193 6.142 ( 1.783 4.301 13.496) 14.276 6.231 ( -0.833 1.215 16.559) 16.624 6.295 ( 0.653 1.260 2.504) 2.878 6.451 ( 6.067 -3.709 -1.362) 7.240 6.507 ( -1.743 4.126 4.529) 6.370 6.524 ( 1.271 -4.849 19.876) 20.499 6.584 ( 2.249 -5.870 4.832) 7.929 6.649 ( -2.676 -6.631 3.281) 7.867 6.801 ( 5.929 4.301 -0.479) 7.341 6.864 ( 2.798 -3.664 -3.545) 5.816 6.972 ( 2.500 -4.777 0.068) 5.393 7.003 ( 5.721 -7.401 15.728) 18.300 7.069 ( -1.224 7.597 -9.914) 12.550 7.169 ( -0.956 2.535 1.150) 2.943 7.212 ( -4.762 -1.773 -3.231) 6.022 7.243 ( 1.247 -1.582 -4.864) 5.264 7.266 ( -0.553 1.975 -1.318) 2.438 7.322 ( -4.989 7.259 -0.377) 8.816 7.386 ( 5.380 2.450 -2.127) 6.283 7.456 ( -0.541 -3.299 -6.895) 7.663 7.503 ( -1.879 -0.557 -4.405) 4.821 7.558 ( -3.525 3.127 -0.526) 4.741 7.600 ( 2.925 -3.540 2.994) 5.482 7.615 ( -5.283 -2.976 -3.062) 6.792 7.727 ( -5.371 4.046 -0.371) 6.735 7.839 ( -1.425 2.646 3.838) 4.874 7.865 ( 3.936 4.650 4.222) 7.412 7.926 ( -0.448 2.086 0.923) 2.325 8.064 ( -5.396 5.184 2.366) 7.847 8.097 ( 0.978 -1.650 -11.464) 11.624 8.151 ( 6.782 -4.322 0.532) 8.060 8.171 ( -11.677 8.264 7.719) 16.255 8.245 ( -4.850 -5.324 -2.835) 7.740 8.283 ( -7.182 -2.614 -0.552) 7.663 8.323 ( -2.880 5.018 -4.990) 7.640 8.469 ( 4.156 -1.802 -3.235) 5.566 8.494 ( 8.710 6.883 0.099) 11.102 8.521 ( 2.318 1.703 -2.087) 3.554 8.643 ( 0.737 -3.063 -0.473) 3.185 8.755 ( 2.115 -6.596 -5.448) 8.813 8.789 ( 2.537 1.051 -9.138) 9.542 8.821 ( 6.834 -2.512 -0.209) 7.284 8.951 ( 0.794 3.373 1.323) 3.710 8.985 ( 5.571 0.340 1.977) 5.921 9.145 ( -1.098 0.892 -14.115) 14.186 9.192 ( -1.824 1.021 -5.546) 5.927 9.285 ( 7.920 0.348 -5.861) 9.859 9.309 ( 0.043 2.876 -5.201) 5.943 9.346 ( 2.213 -2.773 -0.855) 3.650 9.419 ( -0.366 -0.532 -7.325) 7.353 9.490 ( 2.453 -1.006 -3.429) 4.335 9.507 ( -4.552 5.636 -2.599) 7.696 9.596 ( -2.164 1.645 1.713) 3.213 9.652 ( -4.221 2.331 4.281) 6.448 9.671 ( -2.358 -1.884 -4.371) 5.312 9.694 ( -0.379 -3.652 -4.391) 5.724 9.783 ( -0.498 0.997 -2.485) 2.723 9.800 ( -1.952 -4.700 -2.380) 5.619 9.855 ( -3.806 0.897 -2.060) 4.420 9.923 ( -3.035 -4.154 -3.805) 6.399 9.981 ( -3.008 1.902 0.015) 3.558 10.053 ( -4.762 -4.061 -2.486) 6.734 10.120 ( -1.621 2.462 0.251) 2.959 10.194 ( 1.678 -3.796 1.588) 4.444 10.355 ( 3.429 0.860 -0.645) 3.593 10.404 ( 5.839 -1.878 -2.946) 6.804 10.448 ( 5.466 3.513 -3.013) 7.162 10.517 ( 5.375 -3.320 -2.814) 6.916 10.538 ( 3.099 -0.400 -2.278) 3.867 10.589 ( 0.909 0.896 -2.042) 2.408 10.635 ( 8.457 2.011 -2.364) 9.008 10.678 ( 3.042 -2.466 1.613) 4.235 10.877 ( -3.538 4.070 -3.308) 6.327 10.908 ( 3.550 1.226 -0.562) 3.798 10.976 ( -1.567 1.580 -0.122) 2.228 11.029 ( -2.450 -1.443 0.376) 2.869 11.055 ( 0.868 -2.160 0.136) 2.331 11.123 ( -6.514 5.207 -0.472) 8.352 11.208 ( -0.017 -5.151 -0.818) 5.216 11.319 ( -0.013 0.250 2.161) 2.175 11.327 ( 0.249 2.691 0.365) 2.727 11.423 ( 3.768 -1.745 -0.546) 4.188 11.479 ( 3.629 6.851 3.699) 8.590 11.582 ( 2.118 2.205 3.902) 4.957 11.640 ( -0.550 0.416 4.601) 4.652 11.673 ( -0.665 -0.443 3.126) 3.227 11.717 ( 2.545 -2.774 5.002) 6.261 11.797 ( -2.845 3.517 5.126) 6.837 11.842 ( -1.950 -6.713 -1.001) 7.062 11.889 ( 0.088 -3.056 3.975) 5.015 11.945 ( -1.493 6.710 3.939) 7.922 12.073 ( 5.718 6.471 1.062) 8.700 12.130 ( -3.879 -5.171 3.357) 7.284 12.188 ( 1.181 -2.492 0.318) 2.776 12.277 ( 6.279 -0.859 3.941) 7.463 12.326 ( 4.843 -5.424 0.763) 7.311 12.403 ( -1.750 1.929 1.329) 2.924 12.499 ( -3.042 0.624 -0.383) 3.129 12.529 ( -0.521 -1.508 1.698) 2.330 12.581 ( 0.258 -3.937 0.460) 3.972 12.606 ( -0.077 -0.461 0.825) 0.948 12.660 ( 0.770 -4.138 0.102) 4.210 12.768 ( -3.114 4.068 -4.562) 6.860 12.818 ( -3.443 1.445 -4.029) 5.493 12.975 ( -2.227 -1.295 -0.942) 2.743 13.000 ( -3.017 -2.231 -0.328) 3.767 13.093 ( -4.732 1.628 -0.649) 5.046 13.149 ( -2.045 0.838 0.517) 2.270 13.269 ( 1.496 6.899 -10.267) 12.460 13.390 ( 0.844 2.656 -9.215) 9.627 13.478 ( -2.047 2.822 -8.759) 9.427 13.501 ( -0.326 -2.509 -5.330) 5.900 13.616 ( 6.345 4.276 -3.477) 8.404 13.715 ( 3.942 -1.707 -5.089) 6.660 13.731 ( 7.728 1.140 -8.855) 11.808 13.868 ( 5.696 -5.749 -16.391) 18.280 14.102 ( -5.000 1.625 -13.914) 14.874 14.162 ( -1.405 1.191 -12.993) 13.123 14.187 ( -4.547 -4.059 -15.505) 16.660 14.266 ( -2.518 -6.481 -16.837) 18.216 14.748 ( -0.431 6.135 -2.099) 6.498 14.825 ( 0.100 6.920 -3.007) 7.546 14.972 ( -3.982 8.194 -3.978) 9.941 15.392 ( -12.351 -19.807 -12.842) 26.642 16.852 ( 3.003 3.244 8.434) 9.522 16.934 ( 4.003 -3.459 7.768) 9.398 17.075 ( -2.699 3.420 4.857) 6.524 17.162 ( -0.834 -4.117 4.128) 5.890 17.322 ( 1.946 2.469 4.765) 5.709 17.367 ( 2.339 2.588 3.312) 4.810 17.382 ( 2.863 -2.346 4.049) 5.486 17.438 ( 3.670 -3.322 2.706) 5.641 17.588 ( 0.504 4.758 3.074) 5.688 17.658 ( -0.228 -0.096 2.219) 2.233 17.741 ( -0.713 5.397 3.021) 6.226 17.895 ( -4.245 -6.130 1.193) 7.551 18.765 ( 0.451 2.478 -11.103) 11.385 18.804 ( -0.127 -1.086 -11.518) 11.570 18.823 ( -0.218 1.886 -9.211) 9.404 18.884 ( -1.342 -2.551 -9.270) 9.707 19.274 ( 0.434 1.806 -11.653) 11.801 19.324 ( 0.738 -2.376 -11.245) 11.517 19.407 ( -1.271 0.592 -10.328) 10.423 19.423 ( -2.553 -1.182 -9.103) 9.528 19.532 ( -0.796 3.666 -8.062) 8.892 19.560 ( 0.074 1.810 -11.146) 11.292 19.653 ( -0.679 -2.293 -7.484) 7.856 19.704 ( -3.180 -7.052 -2.649) 8.176 20.792 ( 1.109 4.627 2.441) 5.347 20.882 ( 0.965 1.858 2.949) 3.617 20.949 ( -2.128 7.196 1.785) 7.714 21.180 ( -5.176 -7.403 -0.424) 9.043 21.500 ( 7.070 2.819 -0.758) 7.649 21.606 ( 6.299 -6.434 -2.405) 9.319 21.768 ( -0.745 -0.228 -4.196) 4.268 21.774 ( -0.030 -0.482 -2.975) 3.014 21.977 ( 2.566 3.891 -3.155) 5.629 22.009 ( 2.650 0.597 -3.148) 4.158 22.282 ( -3.074 0.780 -4.260) 5.311 22.321 ( -3.624 -2.140 -5.789) 7.157 26.554 ( 0.051 0.669 2.343) 2.437 26.562 ( 0.009 0.404 2.289) 2.325 26.572 ( -0.084 -0.566 2.480) 2.545 26.576 ( -0.005 -0.577 2.445) 2.513 26.882 ( 0.861 0.400 1.775) 2.013 26.893 ( 0.793 -0.593 1.766) 2.025 26.931 ( -0.191 0.280 0.398) 0.523 26.933 ( -0.090 0.025 0.430) 0.440 27.522 ( 0.489 0.509 1.986) 2.107 27.535 ( 0.558 -0.554 1.931) 2.084 27.584 ( -0.928 0.123 2.069) 2.271 27.587 ( -0.673 -0.165 1.934) 2.054 34.973 ( 3.818 8.166 3.086) 9.529 35.196 ( 2.552 -10.479 -0.002) 10.785 35.295 ( -4.670 4.320 7.147) 9.568 35.414 ( -1.984 -5.236 5.215) 7.652 35.596 ( 4.911 6.751 -2.005) 8.586 35.759 ( 10.461 -5.510 -5.558) 13.065 35.991 ( -3.408 13.335 -2.512) 13.991 36.376 ( -4.590 -19.432 -7.697) 21.399 37.026 ( 1.110 5.054 -5.849) 7.809 37.127 ( 4.371 -3.189 -8.246) 9.863 37.253 ( -3.910 14.864 -13.149) 20.227 37.502 ( -4.483 -7.036 -15.291) 17.419 38.076 ( 2.120 1.017 11.303) 11.545 38.114 ( 1.436 -2.158 10.671) 10.981 38.228 ( -1.258 0.592 8.625) 8.737 38.241 ( -1.339 -0.423 8.725) 8.837 39.083 ( 0.926 6.926 22.122) 23.199 39.126 ( 0.383 7.186 21.224) 22.410 39.323 ( 1.083 -8.848 23.267) 24.916 39.457 ( -1.908 -17.376 21.006) 27.328 40.024 ( 3.656 11.120 23.267) 26.046 40.232 ( 6.944 -5.189 24.856) 26.324 40.616 ( -9.345 26.365 15.820) 32.136 41.199 ( -16.048 -21.911 7.629) 28.210 ======================= Grid point 52 (24/36) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( 21.419 10.701 34.498) 41.993 3.771 ( 21.333 -0.077 25.798) 33.476 3.881 ( 14.653 1.191 26.491) 30.297 3.965 ( -18.278 7.789 27.218) 33.698 4.253 ( 1.444 -9.962 19.577) 22.013 4.335 ( -11.055 -11.790 25.823) 30.463 4.365 ( -11.509 1.016 24.394) 26.992 4.551 ( -11.856 -8.404 16.358) 21.881 4.822 ( 6.103 11.734 10.515) 16.897 4.902 ( 1.478 8.223 6.937) 10.859 5.013 ( -1.135 9.305 10.641) 14.181 5.076 ( -4.977 5.145 7.550) 10.405 5.124 ( 3.116 7.316 6.177) 10.070 5.312 ( -9.043 3.383 1.975) 9.855 5.425 ( 5.452 -13.466 3.899) 15.042 5.548 ( -7.018 -11.544 4.933) 14.383 5.735 ( 5.952 -2.741 3.479) 7.419 5.783 ( 3.112 -4.311 8.283) 9.842 5.927 ( -3.828 -5.689 1.442) 7.007 5.980 ( -6.866 -9.136 5.488) 12.678 6.155 ( 1.884 4.337 9.573) 10.677 6.225 ( -2.846 2.599 10.562) 11.243 6.308 ( 2.182 -1.971 4.480) 5.359 6.381 ( -4.615 -2.900 4.489) 7.061 6.573 ( 4.077 9.594 0.476) 10.435 6.635 ( 0.082 3.767 4.334) 5.742 6.657 ( 8.374 -1.559 14.377) 16.711 6.736 ( 11.244 -8.112 -0.619) 13.879 6.840 ( -8.153 3.935 0.415) 9.063 6.879 ( -1.195 -4.754 -0.213) 4.907 6.903 ( 0.173 -5.708 -2.270) 6.145 7.016 ( -6.192 -8.337 -0.042) 10.385 7.072 ( -1.980 -0.581 5.484) 5.859 7.147 ( -4.863 8.710 2.435) 10.269 7.188 ( 5.564 8.558 2.518) 10.514 7.250 ( 2.892 3.849 -1.697) 5.104 7.259 ( 1.037 -7.062 4.140) 8.252 7.323 ( 3.033 -1.189 -3.870) 5.059 7.389 ( -4.493 8.232 -2.166) 9.625 7.451 ( -1.892 1.300 3.399) 4.101 7.472 ( 0.818 -2.435 -3.340) 4.214 7.528 ( 1.575 9.819 -0.408) 9.953 7.593 ( 2.614 -0.231 -0.394) 2.654 7.610 ( -3.124 0.861 0.047) 3.241 7.742 ( 6.072 -5.596 1.837) 8.459 7.781 ( -2.296 4.813 5.843) 7.910 7.845 ( -6.118 -5.300 6.374) 10.303 7.918 ( -3.476 -5.730 -1.936) 6.976 7.942 ( -7.276 3.211 5.320) 9.568 7.979 ( -3.779 -0.930 -1.198) 4.072 8.096 ( 2.396 -8.711 0.089) 9.034 8.160 ( -2.701 -8.182 -2.146) 8.880 8.263 ( 7.951 7.388 0.700) 10.876 8.331 ( 0.593 5.201 -3.826) 6.484 8.409 ( 11.598 -2.931 -3.413) 12.440 8.487 ( -2.862 -6.037 -4.282) 7.935 8.539 ( 0.345 1.354 -2.624) 2.972 8.610 ( 5.748 -1.950 -2.786) 6.678 8.697 ( -1.983 5.772 -2.099) 6.454 8.744 ( 1.812 5.708 -1.088) 6.086 8.826 ( -3.625 6.149 -8.360) 10.993 8.924 ( 0.081 -1.203 -5.295) 5.431 8.940 ( 2.437 -0.447 -7.959) 8.336 8.971 ( -4.126 1.851 3.527) 5.735 9.142 ( -0.015 2.943 -9.739) 10.174 9.157 ( 1.743 2.720 -5.106) 6.042 9.242 ( -5.423 -0.443 -12.406) 13.546 9.274 ( -7.027 1.796 -7.266) 10.267 9.400 ( 5.110 7.913 -7.276) 11.903 9.471 ( 4.554 4.453 1.430) 6.528 9.504 ( -1.707 3.225 1.314) 3.878 9.540 ( -0.623 1.782 -0.019) 1.888 9.583 ( -0.027 -0.590 -1.117) 1.263 9.600 ( -2.588 0.009 5.036) 5.662 9.651 ( 3.463 -7.083 -1.965) 8.125 9.679 ( 0.371 -6.134 -4.185) 7.435 9.758 ( 3.522 -2.151 -3.187) 5.215 9.832 ( 2.533 -3.971 1.888) 5.075 9.856 ( -4.965 0.640 -3.251) 5.969 9.875 ( 4.973 0.470 1.168) 5.130 9.913 ( -5.051 -5.342 -4.141) 8.438 10.021 ( -1.716 0.320 -1.754) 2.475 10.056 ( 1.484 -6.133 -0.619) 6.340 10.199 ( -4.338 -9.363 0.278) 10.323 10.404 ( 3.048 3.815 -2.300) 5.398 10.438 ( 0.552 3.702 -3.733) 5.286 10.529 ( -0.343 -2.726 -4.286) 5.091 10.546 ( -0.950 -3.629 -4.010) 5.491 10.648 ( 4.989 7.874 -3.242) 9.869 10.683 ( 3.386 2.932 -0.101) 4.480 10.730 ( 3.514 0.189 -0.470) 3.550 10.755 ( 3.115 2.157 -0.043) 3.789 10.830 ( 0.630 4.507 -3.038) 5.471 10.904 ( -5.951 2.654 2.057) 6.833 10.961 ( 1.044 -4.029 -2.633) 4.925 10.998 ( 2.574 -2.583 -2.756) 4.571 11.077 ( -0.012 0.625 -1.396) 1.530 11.111 ( -0.306 -0.101 0.437) 0.543 11.147 ( -3.323 -2.205 2.469) 4.690 11.198 ( -1.794 -6.628 0.481) 6.884 11.463 ( 4.254 5.406 4.453) 8.194 11.506 ( 1.809 4.569 2.466) 5.498 11.538 ( 2.752 5.045 4.983) 7.606 11.589 ( -1.936 -0.897 7.055) 7.371 11.658 ( 3.029 0.864 3.224) 4.507 11.665 ( 1.894 0.912 1.003) 2.329 11.704 ( -2.846 2.987 1.640) 4.439 11.789 ( -4.323 -1.736 -0.764) 4.720 11.809 ( 1.583 -0.935 1.658) 2.476 11.861 ( -1.547 1.370 3.861) 4.379 11.923 ( 1.624 -5.384 3.724) 6.745 12.022 ( -5.465 -6.856 3.470) 9.429 12.193 ( 4.396 7.608 1.112) 8.857 12.230 ( 1.488 3.506 0.881) 3.909 12.349 ( 0.355 -2.136 0.144) 2.170 12.400 ( -1.564 -5.186 -1.938) 5.753 12.445 ( 5.267 0.346 2.248) 5.737 12.455 ( 3.559 -1.518 2.672) 4.702 12.512 ( -0.644 -0.612 1.508) 1.751 12.557 ( -2.636 -3.349 -0.046) 4.262 12.650 ( 2.019 -2.274 0.112) 3.043 12.675 ( 1.940 -3.145 -0.045) 3.696 12.702 ( -3.730 4.001 -1.968) 5.813 12.767 ( -1.940 0.703 -1.158) 2.366 12.910 ( -1.483 -1.746 -1.524) 2.752 12.958 ( -0.968 -3.382 -1.703) 3.908 12.989 ( -3.395 1.213 -2.237) 4.243 13.055 ( -6.403 -2.063 -2.424) 7.150 13.348 ( 4.351 6.447 -8.493) 11.516 13.397 ( -0.371 4.751 -7.322) 8.736 13.449 ( 0.092 4.134 -8.358) 9.325 13.485 ( -1.874 0.572 -5.105) 5.468 13.759 ( 7.907 3.726 -9.447) 12.871 13.840 ( 6.952 -0.138 -9.558) 11.820 13.876 ( 3.227 2.391 -9.457) 10.274 13.960 ( -0.325 -1.891 -10.827) 10.996 14.002 ( -1.057 0.270 -13.915) 13.958 14.088 ( -4.392 -3.806 -15.144) 16.221 14.108 ( -1.725 -3.935 -14.040) 14.682 14.186 ( -5.350 -6.770 -15.998) 18.177 14.761 ( 2.089 7.706 -2.524) 8.374 14.820 ( -2.466 12.027 -3.952) 12.898 14.935 ( 3.846 -5.323 -3.152) 7.284 15.120 ( -13.054 -11.456 -7.457) 18.901 16.927 ( 4.200 3.724 7.466) 9.341 17.007 ( -3.211 3.455 6.183) 7.777 17.033 ( 4.542 -4.510 6.727) 9.286 17.119 ( -3.442 -5.467 5.255) 8.328 17.370 ( 2.423 3.235 3.506) 5.350 17.397 ( 0.102 3.449 2.767) 4.423 17.449 ( 3.364 -3.337 2.636) 5.422 17.487 ( 0.166 -4.187 1.739) 4.536 17.625 ( 3.107 5.446 3.955) 7.413 17.654 ( -0.153 2.657 3.465) 4.369 17.725 ( -0.059 0.247 4.087) 4.095 17.789 ( -5.656 -4.129 3.462) 7.812 18.778 ( 0.827 2.504 -10.611) 10.934 18.796 ( -0.776 0.764 -10.873) 10.928 18.826 ( 0.728 -1.080 -9.357) 9.447 18.852 ( -1.689 -2.629 -9.305) 9.816 19.295 ( 1.798 1.819 -10.236) 10.551 19.344 ( 1.349 -2.453 -10.002) 10.386 19.349 ( -3.481 0.714 -9.327) 9.981 19.379 ( -2.025 -1.870 -9.086) 9.495 19.531 ( 0.813 4.724 -9.030) 10.223 19.553 ( -0.945 3.732 -10.190) 10.893 19.643 ( -0.030 -4.034 -7.098) 8.164 19.657 ( -1.402 -4.737 -5.814) 7.629 20.822 ( 1.859 6.422 2.204) 7.039 20.863 ( -2.142 9.207 1.770) 9.617 20.974 ( 3.852 -5.554 3.547) 7.633 21.070 ( -5.440 -7.269 1.995) 9.295 21.641 ( 6.187 2.162 -4.070) 7.715 21.712 ( 3.070 -2.857 -4.038) 5.822 21.736 ( -2.005 -0.643 -4.248) 4.741 21.765 ( -1.162 -1.871 -3.499) 4.134 22.049 ( 4.116 5.110 -3.984) 7.676 22.072 ( 2.776 3.411 -3.909) 5.884 22.209 ( -3.216 -2.122 -4.545) 5.959 22.231 ( -4.590 -3.157 -5.315) 7.700 26.557 ( 0.190 0.609 2.252) 2.341 26.561 ( -0.165 0.523 2.223) 2.289 26.572 ( 0.065 -0.590 2.467) 2.537 26.575 ( -0.145 -0.567 2.437) 2.506 26.903 ( 1.137 0.394 1.170) 1.679 26.912 ( 0.929 -0.346 1.186) 1.546 26.922 ( -0.677 0.289 0.700) 1.016 26.928 ( -0.529 -0.150 0.725) 0.910 27.537 ( 1.009 0.514 2.066) 2.356 27.550 ( 0.876 -0.518 1.909) 2.164 27.561 ( -1.227 0.292 2.146) 2.489 27.570 ( -0.988 -0.424 1.945) 2.223 35.072 ( 5.784 6.968 4.554) 10.136 35.188 ( -5.536 5.572 5.791) 9.758 35.269 ( 3.987 -9.628 2.853) 10.805 35.351 ( -3.925 -8.251 4.855) 10.347 35.728 ( 7.433 11.842 -3.040) 14.308 35.865 ( -5.262 14.016 -3.300) 15.330 36.021 ( 11.204 -12.258 -7.720) 18.314 36.238 ( -9.309 -17.430 -8.376) 21.462 37.071 ( 3.410 9.128 -7.798) 12.481 37.158 ( -5.003 12.990 -10.750) 17.588 37.241 ( 6.783 -5.246 -10.737) 13.741 37.383 ( -7.021 -6.609 -13.438) 16.539 38.131 ( 3.104 0.744 10.580) 11.051 38.154 ( 2.416 -1.097 10.175) 10.515 38.190 ( -2.578 0.554 9.520) 9.879 38.203 ( -2.353 -0.496 9.352) 9.656 39.107 ( 1.325 7.642 21.203) 22.577 39.127 ( -0.463 8.016 20.760) 22.258 39.355 ( 2.164 -13.227 22.227) 25.956 39.407 ( -2.860 -15.963 21.327) 26.792 40.148 ( 8.803 16.546 22.788) 29.505 40.346 ( -7.330 19.833 20.942) 29.759 40.489 ( 9.659 -7.956 21.828) 25.161 40.821 ( -19.797 -16.075 16.855) 30.568 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 0.000 0.000 31.699) 31.699 3.821 ( 0.000 0.000 41.181) 41.181 3.996 ( 0.000 0.000 8.860) 8.860 4.629 ( 0.000 0.000 10.144) 10.144 4.654 ( 0.000 0.000 4.070) 4.070 4.655 ( 0.000 0.000 9.256) 9.256 4.852 ( 0.000 0.000 13.221) 13.221 4.884 ( 0.000 0.000 13.391) 13.391 5.083 ( 0.000 0.000 -1.896) 1.896 5.100 ( 0.000 0.000 29.344) 29.344 5.199 ( 0.000 0.000 7.991) 7.991 5.376 ( 0.000 0.000 12.603) 12.603 5.409 ( 0.000 0.000 15.935) 15.935 5.452 ( 0.000 0.000 0.591) 0.591 5.589 ( 0.000 0.000 -6.245) 6.245 5.911 ( 0.000 0.000 13.169) 13.169 5.920 ( 0.000 0.000 5.977) 5.977 5.947 ( 0.000 0.000 9.921) 9.921 6.072 ( 0.000 0.000 10.152) 10.152 6.260 ( 0.000 0.000 -9.597) 9.597 6.268 ( 0.000 0.000 2.106) 2.106 6.317 ( 0.000 0.000 2.730) 2.730 6.476 ( 0.000 0.000 -11.422) 11.422 6.489 ( 0.000 0.000 -5.176) 5.176 6.522 ( 0.000 0.000 3.554) 3.554 6.526 ( 0.000 0.000 -4.868) 4.868 6.662 ( 0.000 0.000 2.551) 2.551 6.756 ( 0.000 0.000 -3.323) 3.323 6.796 ( 0.000 0.000 -2.905) 2.905 6.832 ( 0.000 0.000 0.226) 0.226 6.879 ( 0.000 0.000 -6.702) 6.702 6.968 ( 0.000 0.000 5.422) 5.422 7.002 ( 0.000 0.000 0.059) 0.059 7.010 ( 0.000 0.000 0.452) 0.452 7.115 ( 0.000 0.000 -14.998) 14.998 7.215 ( 0.000 0.000 3.861) 3.861 7.224 ( 0.000 0.000 1.907) 1.907 7.408 ( 0.000 0.000 0.784) 0.784 7.429 ( 0.000 0.000 -7.119) 7.119 7.466 ( 0.000 0.000 -20.559) 20.559 7.574 ( 0.000 0.000 -5.561) 5.561 7.616 ( 0.000 0.000 -22.151) 22.151 7.632 ( 0.000 0.000 -2.979) 2.979 7.706 ( 0.000 0.000 -0.838) 0.838 7.708 ( 0.000 0.000 -1.770) 1.770 7.806 ( 0.000 0.000 -4.092) 4.092 7.848 ( 0.000 0.000 14.060) 14.060 7.863 ( 0.000 0.000 -0.886) 0.886 7.903 ( 0.000 0.000 -1.081) 1.081 8.006 ( 0.000 0.000 -9.991) 9.991 8.039 ( 0.000 0.000 -10.662) 10.662 8.109 ( 0.000 0.000 13.639) 13.639 8.140 ( 0.000 0.000 0.980) 0.980 8.276 ( 0.000 0.000 20.737) 20.737 8.367 ( 0.000 0.000 7.411) 7.411 8.402 ( 0.000 0.000 -16.810) 16.810 8.447 ( 0.000 0.000 11.385) 11.385 8.531 ( 0.000 0.000 3.838) 3.838 8.552 ( 0.000 0.000 4.015) 4.015 8.643 ( 0.000 0.000 5.683) 5.683 8.742 ( 0.000 0.000 -3.977) 3.977 8.835 ( 0.000 0.000 3.473) 3.473 8.901 ( 0.000 0.000 -4.393) 4.393 9.004 ( 0.000 0.000 -1.972) 1.972 9.005 ( 0.000 0.000 -0.497) 0.497 9.183 ( 0.000 0.000 -2.686) 2.686 9.257 ( 0.000 0.000 1.516) 1.516 9.358 ( 0.000 0.000 -2.851) 2.851 9.381 ( 0.000 0.000 -6.484) 6.484 9.386 ( 0.000 0.000 -4.935) 4.935 9.391 ( 0.000 0.000 -1.811) 1.811 9.395 ( 0.000 0.000 12.080) 12.080 9.426 ( 0.000 0.000 -4.181) 4.181 9.431 ( 0.000 0.000 -9.981) 9.981 9.623 ( 0.000 0.000 -11.741) 11.741 9.642 ( 0.000 0.000 -9.389) 9.389 9.747 ( 0.000 0.000 3.551) 3.551 9.861 ( 0.000 0.000 -5.875) 5.875 9.913 ( 0.000 0.000 6.254) 6.254 9.955 ( 0.000 0.000 -1.330) 1.330 9.962 ( 0.000 0.000 1.812) 1.812 10.040 ( 0.000 0.000 1.404) 1.404 10.057 ( 0.000 0.000 5.226) 5.226 10.255 ( 0.000 0.000 -4.638) 4.638 10.308 ( 0.000 0.000 -2.682) 2.682 10.357 ( 0.000 0.000 3.073) 3.073 10.484 ( 0.000 0.000 3.659) 3.659 10.539 ( 0.000 0.000 3.777) 3.777 10.580 ( 0.000 0.000 13.886) 13.886 10.610 ( 0.000 0.000 4.158) 4.158 10.679 ( 0.000 0.000 5.403) 5.403 10.748 ( 0.000 0.000 9.340) 9.340 10.841 ( 0.000 0.000 7.209) 7.209 10.928 ( 0.000 0.000 0.262) 0.262 11.007 ( 0.000 0.000 -0.650) 0.650 11.062 ( 0.000 0.000 4.202) 4.202 11.160 ( 0.000 0.000 2.006) 2.006 11.164 ( 0.000 0.000 -3.954) 3.954 11.172 ( 0.000 0.000 8.521) 8.521 11.256 ( 0.000 0.000 12.950) 12.950 11.312 ( 0.000 0.000 -6.099) 6.099 11.441 ( 0.000 0.000 -2.367) 2.367 11.490 ( 0.000 0.000 -3.018) 3.018 11.555 ( 0.000 0.000 -1.648) 1.648 11.691 ( 0.000 0.000 -2.348) 2.348 11.778 ( 0.000 0.000 3.059) 3.059 11.824 ( 0.000 0.000 4.027) 4.027 11.828 ( 0.000 0.000 7.989) 7.989 11.942 ( 0.000 0.000 -3.238) 3.238 11.960 ( 0.000 0.000 7.709) 7.709 11.967 ( 0.000 0.000 0.645) 0.645 11.977 ( 0.000 0.000 3.280) 3.280 12.210 ( 0.000 0.000 -3.050) 3.050 12.250 ( 0.000 0.000 4.859) 4.859 12.333 ( 0.000 0.000 2.033) 2.033 12.346 ( 0.000 0.000 -6.825) 6.825 12.439 ( 0.000 0.000 -0.745) 0.745 12.491 ( 0.000 0.000 0.858) 0.858 12.498 ( 0.000 0.000 2.887) 2.887 12.545 ( 0.000 0.000 -3.220) 3.220 12.603 ( 0.000 0.000 -13.651) 13.651 12.674 ( 0.000 0.000 -1.538) 1.538 12.701 ( 0.000 0.000 0.182) 0.182 12.758 ( 0.000 0.000 -0.434) 0.434 12.971 ( 0.000 0.000 -4.368) 4.368 12.992 ( 0.000 0.000 -1.032) 1.032 13.048 ( 0.000 0.000 -1.984) 1.984 13.054 ( 0.000 0.000 -2.519) 2.519 13.120 ( 0.000 0.000 -13.891) 13.891 13.271 ( 0.000 0.000 -0.524) 0.524 13.324 ( 0.000 0.000 -5.831) 5.831 13.347 ( 0.000 0.000 -8.308) 8.308 13.429 ( 0.000 0.000 -8.358) 8.358 13.486 ( 0.000 0.000 -4.200) 4.200 13.552 ( 0.000 0.000 -4.131) 4.131 13.629 ( 0.000 0.000 -5.952) 5.952 13.951 ( 0.000 0.000 -7.950) 7.950 13.955 ( 0.000 0.000 -18.021) 18.021 13.972 ( 0.000 0.000 -5.605) 5.605 14.059 ( 0.000 0.000 -15.677) 15.677 14.511 ( 0.000 0.000 -2.469) 2.469 14.651 ( 0.000 0.000 -2.398) 2.398 14.994 ( 0.000 0.000 0.453) 0.453 15.392 ( 0.000 0.000 -20.423) 20.423 16.948 ( 0.000 0.000 7.283) 7.283 17.068 ( 0.000 0.000 6.183) 6.183 17.115 ( 0.000 0.000 1.936) 1.936 17.234 ( 0.000 0.000 1.087) 1.087 17.368 ( 0.000 0.000 2.394) 2.394 17.368 ( 0.000 0.000 3.160) 3.160 17.452 ( 0.000 0.000 2.839) 2.839 17.521 ( 0.000 0.000 4.098) 4.098 17.545 ( 0.000 0.000 0.038) 0.038 17.643 ( 0.000 0.000 1.480) 1.480 17.823 ( 0.000 0.000 4.411) 4.411 18.016 ( 0.000 0.000 -1.800) 1.800 18.550 ( 0.000 0.000 -5.112) 5.112 18.620 ( 0.000 0.000 -7.438) 7.438 18.655 ( 0.000 0.000 -4.822) 4.822 18.752 ( 0.000 0.000 -7.221) 7.221 19.043 ( 0.000 0.000 -8.255) 8.255 19.123 ( 0.000 0.000 -10.326) 10.326 19.243 ( 0.000 0.000 -3.136) 3.136 19.298 ( 0.000 0.000 -8.212) 8.212 19.320 ( 0.000 0.000 -9.125) 9.125 19.385 ( 0.000 0.000 -4.376) 4.376 19.591 ( 0.000 0.000 -1.769) 1.769 19.834 ( 0.000 0.000 -5.525) 5.525 20.748 ( 0.000 0.000 1.165) 1.165 20.748 ( 0.000 0.000 0.758) 0.758 21.047 ( 0.000 0.000 5.518) 5.518 21.264 ( 0.000 0.000 -1.146) 1.146 21.466 ( 0.000 0.000 2.305) 2.305 21.600 ( 0.000 0.000 -2.021) 2.021 21.755 ( 0.000 0.000 -0.721) 0.721 21.774 ( 0.000 0.000 -1.597) 1.597 21.795 ( 0.000 0.000 -1.538) 1.538 21.904 ( 0.000 0.000 -3.444) 3.444 22.235 ( 0.000 0.000 -2.870) 2.870 22.269 ( 0.000 0.000 -4.690) 4.690 26.585 ( 0.000 0.000 1.668) 1.668 26.594 ( 0.000 0.000 1.466) 1.466 26.623 ( 0.000 0.000 1.786) 1.786 26.632 ( 0.000 0.000 1.793) 1.793 26.900 ( 0.000 0.000 1.005) 1.005 26.924 ( 0.000 0.000 -0.291) 0.291 26.926 ( 0.000 0.000 0.905) 0.905 26.937 ( 0.000 0.000 0.114) 0.114 27.546 ( 0.000 0.000 1.421) 1.421 27.564 ( 0.000 0.000 0.939) 0.939 27.619 ( 0.000 0.000 0.914) 0.914 27.626 ( 0.000 0.000 0.963) 0.963 34.922 ( 0.000 0.000 5.107) 5.107 35.247 ( 0.000 0.000 -5.206) 5.206 35.342 ( 0.000 0.000 -0.176) 0.176 35.551 ( 0.000 0.000 10.983) 10.983 35.553 ( 0.000 0.000 -5.792) 5.792 35.684 ( 0.000 0.000 5.227) 5.227 35.914 ( 0.000 0.000 5.168) 5.168 36.526 ( 0.000 0.000 -14.939) 14.939 36.829 ( 0.000 0.000 -2.505) 2.505 36.921 ( 0.000 0.000 -2.295) 2.295 36.969 ( 0.000 0.000 -5.103) 5.103 37.296 ( 0.000 0.000 -15.854) 15.854 38.253 ( 0.000 0.000 9.094) 9.094 38.326 ( 0.000 0.000 8.233) 8.233 38.370 ( 0.000 0.000 5.269) 5.269 38.409 ( 0.000 0.000 5.785) 5.785 39.374 ( 0.000 0.000 15.624) 15.624 39.393 ( 0.000 0.000 14.726) 14.726 39.937 ( 0.000 0.000 21.413) 21.413 40.200 ( 0.000 0.000 14.152) 14.152 40.298 ( 0.000 0.000 9.587) 9.587 40.302 ( 0.000 0.000 13.105) 13.105 40.761 ( 0.000 0.000 19.959) 19.959 41.556 ( 0.000 0.000 -7.232) 7.232 ======================= Grid point 61 (26/36) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( 17.573 0.000 29.231) 34.106 3.899 ( 7.543 0.000 39.302) 40.020 4.114 ( 11.268 0.000 9.697) 14.866 4.556 ( -6.868 0.000 15.722) 17.156 4.651 ( -0.849 0.000 3.806) 3.900 4.667 ( 0.706 0.000 6.357) 6.396 4.854 ( -3.354 0.000 9.477) 10.053 4.916 ( 6.214 0.000 12.742) 14.176 5.042 ( -4.931 0.000 0.994) 5.030 5.056 ( -1.719 0.000 26.648) 26.703 5.145 ( -5.237 0.000 11.350) 12.500 5.331 ( -6.052 0.000 15.985) 17.092 5.390 ( -0.163 0.000 8.219) 8.221 5.417 ( -1.240 0.000 2.747) 3.014 5.681 ( -4.138 0.000 2.631) 4.903 5.801 ( -0.828 0.000 11.927) 11.956 5.853 ( -2.046 0.000 8.006) 8.263 5.998 ( 3.626 0.000 9.167) 9.858 6.119 ( 0.316 0.000 8.680) 8.686 6.165 ( -6.776 0.000 -11.835) 13.637 6.248 ( -3.684 0.000 6.924) 7.844 6.324 ( 0.368 0.000 -1.720) 1.759 6.370 ( -6.891 0.000 -5.460) 8.792 6.401 ( -7.530 0.000 2.010) 7.793 6.425 ( 1.359 0.000 -18.436) 18.486 6.497 ( -5.511 0.000 5.052) 7.476 6.701 ( -0.434 0.000 -9.021) 9.031 6.752 ( 3.202 0.000 -9.266) 9.804 6.810 ( -0.369 0.000 -8.521) 8.529 6.872 ( -1.693 0.000 -3.360) 3.762 6.879 ( -0.444 0.000 0.189) 0.483 6.942 ( -2.543 0.000 1.616) 3.013 7.046 ( 2.508 0.000 -0.214) 2.518 7.064 ( 2.223 0.000 -6.793) 7.147 7.127 ( 2.125 0.000 -8.896) 9.146 7.254 ( 3.915 0.000 5.497) 6.748 7.262 ( 4.517 0.000 0.118) 4.518 7.321 ( -9.333 0.000 -1.464) 9.447 7.419 ( -7.451 0.000 -3.335) 8.163 7.465 ( -1.474 0.000 -13.224) 13.306 7.528 ( 7.949 0.000 -8.088) 11.340 7.538 ( -2.243 0.000 0.137) 2.247 7.659 ( -7.263 0.000 -1.973) 7.526 7.711 ( 3.879 0.000 -2.593) 4.666 7.720 ( 2.798 0.000 -0.923) 2.946 7.768 ( 6.914 0.000 7.743) 10.380 7.799 ( -4.802 0.000 -3.724) 6.077 7.840 ( -1.955 0.000 -5.397) 5.740 8.032 ( 1.108 0.000 -0.085) 1.111 8.073 ( 6.573 0.000 -10.610) 12.481 8.126 ( 3.504 0.000 -5.099) 6.186 8.154 ( 3.628 0.000 12.303) 12.827 8.184 ( 6.217 0.000 7.803) 9.977 8.271 ( 4.222 0.000 9.974) 10.830 8.308 ( -1.508 0.000 2.733) 3.121 8.447 ( -1.685 0.000 7.475) 7.663 8.482 ( -1.265 0.000 -1.037) 1.635 8.520 ( -1.337 0.000 8.941) 9.041 8.542 ( 8.135 0.000 -9.384) 12.419 8.736 ( -7.832 0.000 5.040) 9.313 8.739 ( 1.185 0.000 -5.032) 5.169 8.815 ( 6.790 0.000 2.486) 7.231 8.906 ( 0.518 0.000 -3.804) 3.839 9.009 ( 5.389 0.000 4.970) 7.331 9.118 ( -11.468 0.000 -6.249) 13.060 9.125 ( -7.533 0.000 -1.344) 7.652 9.197 ( 11.866 0.000 1.851) 12.010 9.210 ( -3.225 0.000 -6.025) 6.834 9.264 ( -9.605 0.000 -3.388) 10.185 9.369 ( 0.371 0.000 0.179) 0.412 9.384 ( 2.181 0.000 5.002) 5.457 9.469 ( 1.930 0.000 -6.853) 7.120 9.482 ( 5.345 0.000 1.937) 5.685 9.607 ( 1.624 0.000 -6.631) 6.827 9.609 ( 4.776 0.000 -5.548) 7.321 9.714 ( 0.067 0.000 1.751) 1.752 9.752 ( 6.415 0.000 -10.283) 12.120 9.790 ( -4.335 0.000 -2.094) 4.815 9.850 ( -2.323 0.000 0.735) 2.437 9.923 ( -0.010 0.000 3.455) 3.455 10.016 ( -3.586 0.000 5.982) 6.975 10.083 ( -3.592 0.000 2.853) 4.587 10.096 ( 2.912 0.000 2.218) 3.661 10.207 ( 5.986 0.000 -5.698) 8.264 10.336 ( -9.189 0.000 1.594) 9.326 10.374 ( 3.156 0.000 -1.412) 3.458 10.405 ( 4.358 0.000 6.978) 8.227 10.583 ( 0.983 0.000 1.102) 1.477 10.625 ( 2.188 0.000 2.857) 3.598 10.642 ( -1.018 0.000 3.615) 3.756 10.662 ( 2.069 0.000 8.598) 8.843 10.817 ( 4.909 0.000 4.143) 6.424 10.854 ( -3.302 0.000 8.136) 8.781 10.931 ( 5.002 0.000 8.556) 9.910 10.978 ( -0.538 0.000 -1.535) 1.627 11.025 ( -2.792 0.000 -0.344) 2.813 11.130 ( -2.169 0.000 2.867) 3.595 11.166 ( 1.611 0.000 1.423) 2.149 11.223 ( -2.823 0.000 8.734) 9.179 11.265 ( 6.238 0.000 -1.677) 6.459 11.330 ( 0.722 0.000 -4.568) 4.625 11.388 ( -6.169 0.000 -0.625) 6.201 11.449 ( -0.984 0.000 -0.344) 1.042 11.611 ( 3.644 0.000 -1.530) 3.952 11.724 ( 2.258 0.000 1.698) 2.825 11.754 ( -3.436 0.000 6.608) 7.448 11.799 ( 2.501 0.000 3.781) 4.533 11.843 ( 1.405 0.000 4.107) 4.341 11.905 ( -4.724 0.000 8.081) 9.360 11.944 ( -1.912 0.000 1.350) 2.341 12.012 ( 2.246 0.000 -2.514) 3.371 12.041 ( 5.076 0.000 -1.040) 5.182 12.172 ( -3.414 0.000 -2.499) 4.231 12.282 ( 0.717 0.000 3.258) 3.336 12.298 ( -2.106 0.000 -3.693) 4.252 12.381 ( 4.585 0.000 1.360) 4.782 12.470 ( 2.613 0.000 -0.937) 2.776 12.477 ( -1.162 0.000 -0.009) 1.162 12.496 ( 1.298 0.000 -0.352) 1.345 12.554 ( -1.648 0.000 -8.990) 9.140 12.594 ( 3.388 0.000 -1.480) 3.697 12.690 ( -0.815 0.000 1.027) 1.310 12.701 ( 0.493 0.000 -0.705) 0.860 12.758 ( -0.772 0.000 -1.345) 1.551 12.936 ( -2.542 0.000 -7.075) 7.517 12.961 ( -0.638 0.000 -4.227) 4.275 12.979 ( -5.429 0.000 -2.714) 6.070 13.057 ( -1.792 0.000 -3.225) 3.690 13.102 ( -2.067 0.000 -8.356) 8.608 13.231 ( -6.162 0.000 -8.773) 10.721 13.259 ( -1.696 0.000 -2.092) 2.693 13.338 ( -2.388 0.000 -7.956) 8.307 13.478 ( 5.659 0.000 -5.949) 8.211 13.567 ( 4.431 0.000 -7.156) 8.417 13.621 ( 6.453 0.000 -5.539) 8.505 13.642 ( 2.694 0.000 -6.276) 6.830 13.911 ( -3.483 0.000 -6.960) 7.783 13.922 ( -3.132 0.000 -15.951) 16.256 13.981 ( 0.053 0.000 -6.095) 6.096 14.013 ( -4.429 0.000 -16.229) 16.823 14.550 ( 3.533 0.000 -1.914) 4.018 14.645 ( -0.452 0.000 -2.084) 2.132 14.959 ( -2.848 0.000 -0.372) 2.872 15.278 ( -10.236 0.000 -16.645) 19.541 16.969 ( 2.050 0.000 6.855) 7.155 17.105 ( -1.031 0.000 2.629) 2.824 17.112 ( 4.016 0.000 5.652) 6.933 17.261 ( 1.748 0.000 0.806) 1.925 17.368 ( 0.644 0.000 2.945) 3.015 17.390 ( 1.300 0.000 2.215) 2.568 17.469 ( 1.691 0.000 2.043) 2.653 17.548 ( 0.190 0.000 -0.417) 0.458 17.549 ( 2.615 0.000 3.695) 4.526 17.645 ( 0.261 0.000 1.335) 1.360 17.810 ( -1.030 0.000 4.273) 4.395 17.977 ( -3.718 0.000 -1.106) 3.879 18.557 ( 0.814 0.000 -5.010) 5.076 18.621 ( -0.072 0.000 -7.108) 7.109 18.668 ( 1.328 0.000 -4.859) 5.038 18.748 ( -0.399 0.000 -6.847) 6.859 19.054 ( 1.238 0.000 -7.806) 7.904 19.143 ( 1.653 0.000 -10.331) 10.462 19.250 ( 0.673 0.000 -3.174) 3.245 19.273 ( -2.227 0.000 -7.915) 8.222 19.309 ( -1.210 0.000 -9.308) 9.387 19.363 ( -2.051 0.000 -4.076) 4.563 19.598 ( 0.749 0.000 -1.551) 1.722 19.782 ( -4.603 0.000 -3.344) 5.689 20.749 ( 0.263 0.000 0.876) 0.915 20.755 ( 0.381 0.000 0.769) 0.858 21.066 ( 1.847 0.000 4.900) 5.237 21.243 ( -2.231 0.000 -0.999) 2.444 21.488 ( 2.622 0.000 1.411) 2.977 21.630 ( 1.697 0.000 -3.357) 3.762 21.757 ( 0.220 0.000 -0.852) 0.880 21.773 ( -0.126 0.000 -1.566) 1.571 21.812 ( 2.096 0.000 -1.366) 2.501 21.919 ( 1.316 0.000 -3.558) 3.794 22.209 ( -2.432 0.000 -2.982) 3.848 22.237 ( -2.952 0.000 -4.478) 5.363 26.585 ( -0.004 0.000 1.609) 1.609 26.593 ( -0.073 0.000 1.427) 1.429 26.623 ( 0.014 0.000 1.804) 1.804 26.630 ( -0.140 0.000 1.790) 1.796 26.903 ( 0.374 0.000 0.826) 0.907 26.925 ( 0.001 0.000 -0.230) 0.230 26.930 ( 0.297 0.000 0.780) 0.834 26.938 ( 0.114 0.000 0.134) 0.176 27.550 ( 0.500 0.000 1.430) 1.515 27.570 ( 0.505 0.000 0.900) 1.031 27.613 ( -0.697 0.000 0.979) 1.201 27.618 ( -0.728 0.000 0.969) 1.212 34.973 ( 4.959 0.000 5.296) 7.256 35.260 ( 0.619 0.000 -2.718) 2.788 35.383 ( 4.117 0.000 0.563) 4.155 35.529 ( -1.555 0.000 8.728) 8.865 35.624 ( 5.263 0.000 -5.549) 7.648 35.661 ( -2.239 0.000 4.584) 5.102 35.895 ( -0.562 0.000 2.939) 2.993 36.450 ( -7.453 0.000 -14.351) 16.171 36.834 ( 0.548 0.000 -2.315) 2.379 36.900 ( -1.438 0.000 -2.085) 2.532 37.010 ( 3.297 0.000 -6.253) 7.069 37.264 ( -3.038 0.000 -14.962) 15.267 38.272 ( 1.709 0.000 8.790) 8.955 38.331 ( 0.524 0.000 8.074) 8.091 38.367 ( -0.409 0.000 5.662) 5.676 38.399 ( -0.970 0.000 6.036) 6.113 39.375 ( 0.156 0.000 15.394) 15.394 39.396 ( 0.143 0.000 14.586) 14.586 39.967 ( 2.926 0.000 20.360) 20.569 40.195 ( -0.235 0.000 14.548) 14.550 40.258 ( -3.798 0.000 10.828) 11.475 40.286 ( -1.664 0.000 12.790) 12.897 40.809 ( 5.093 0.000 18.756) 19.435 41.452 ( -9.792 0.000 -3.196) 10.300 ======================= Grid point 62 (27/36) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( 12.478 0.000 33.955) 36.175 4.184 ( 21.808 0.000 23.092) 31.762 4.360 ( -12.265 0.000 25.460) 28.260 4.388 ( 11.915 0.000 13.352) 17.896 4.581 ( -4.617 0.000 6.123) 7.668 4.695 ( 2.404 0.000 4.102) 4.755 4.766 ( -4.560 0.000 4.313) 6.277 4.814 ( -17.145 0.000 7.691) 18.791 5.058 ( 4.753 0.000 15.657) 16.363 5.100 ( 6.284 0.000 22.910) 23.756 5.117 ( 5.046 0.000 14.175) 15.047 5.193 ( -4.576 0.000 6.744) 8.150 5.291 ( -11.613 0.000 17.033) 20.615 5.334 ( -7.528 0.000 6.098) 9.688 5.624 ( 6.312 0.000 3.241) 7.096 5.806 ( -7.530 0.000 7.893) 10.909 5.845 ( 3.052 0.000 0.780) 3.150 5.968 ( -6.811 0.000 -2.029) 7.106 6.073 ( 1.042 0.000 6.615) 6.697 6.151 ( 4.440 0.000 -0.761) 4.505 6.153 ( -5.108 0.000 6.358) 8.155 6.237 ( -5.537 0.000 0.727) 5.585 6.353 ( 1.358 0.000 -1.542) 2.055 6.355 ( 1.104 0.000 -4.360) 4.498 6.447 ( 3.670 0.000 -4.834) 6.070 6.533 ( 7.689 0.000 -17.847) 19.433 6.629 ( -10.186 0.000 -4.322) 11.065 6.693 ( -7.118 0.000 -14.590) 16.234 6.801 ( -0.645 0.000 -12.769) 12.785 6.831 ( 1.187 0.000 -9.392) 9.466 6.856 ( -4.580 0.000 -6.771) 8.175 6.859 ( -0.840 0.000 -4.557) 4.634 7.107 ( 2.794 0.000 -0.039) 2.794 7.109 ( 2.699 0.000 -2.920) 3.977 7.142 ( -0.232 0.000 -5.333) 5.338 7.167 ( -2.942 0.000 8.310) 8.815 7.287 ( 1.072 0.000 -8.605) 8.671 7.375 ( -4.907 0.000 -8.996) 10.248 7.398 ( 5.290 0.000 5.607) 7.708 7.471 ( 7.118 0.000 7.566) 10.387 7.493 ( -5.365 0.000 15.921) 16.801 7.589 ( 3.778 0.000 -3.348) 5.048 7.597 ( -3.484 0.000 7.155) 7.958 7.699 ( -6.070 0.000 -0.096) 6.071 7.758 ( 3.770 0.000 -9.077) 9.829 7.795 ( 5.126 0.000 -5.580) 7.577 7.812 ( 0.034 0.000 -6.012) 6.012 7.941 ( -7.007 0.000 1.430) 7.152 7.972 ( 8.357 0.000 -3.770) 9.168 8.097 ( -4.122 0.000 3.376) 5.328 8.183 ( 1.700 0.000 1.317) 2.150 8.237 ( -1.184 0.000 4.949) 5.089 8.343 ( 13.443 0.000 1.342) 13.509 8.347 ( 8.600 0.000 -0.441) 8.611 8.443 ( 6.905 0.000 0.594) 6.930 8.468 ( 0.759 0.000 -2.204) 2.331 8.473 ( -0.457 0.000 4.677) 4.699 8.541 ( 6.821 0.000 4.881) 8.387 8.572 ( -4.104 0.000 2.967) 5.064 8.653 ( -4.180 0.000 0.257) 4.188 8.672 ( -6.677 0.000 4.602) 8.109 8.715 ( -11.714 0.000 -11.832) 16.650 8.954 ( 4.684 0.000 -2.407) 5.267 8.977 ( -3.621 0.000 -0.227) 3.628 9.055 ( -7.973 0.000 -2.340) 8.309 9.085 ( 4.173 0.000 6.657) 7.857 9.107 ( -6.857 0.000 -7.586) 10.226 9.124 ( 1.498 0.000 5.257) 5.466 9.373 ( 7.689 0.000 6.954) 10.367 9.428 ( 4.138 0.000 -1.163) 4.299 9.484 ( -0.859 0.000 -5.316) 5.385 9.485 ( 0.898 0.000 4.062) 4.160 9.549 ( 1.653 0.000 -0.920) 1.891 9.610 ( -2.691 0.000 -2.548) 3.706 9.688 ( 5.685 0.000 -2.629) 6.264 9.698 ( 6.348 0.000 3.556) 7.276 9.785 ( -2.798 0.000 -4.237) 5.078 9.863 ( -3.437 0.000 -2.509) 4.255 9.874 ( 3.025 0.000 -4.126) 5.116 9.876 ( 3.866 0.000 -1.167) 4.039 9.953 ( -5.836 0.000 0.282) 5.843 10.001 ( 2.883 0.000 6.342) 6.967 10.062 ( -6.048 0.000 2.902) 6.708 10.152 ( -7.308 0.000 0.487) 7.324 10.378 ( 7.803 0.000 -0.731) 7.837 10.431 ( 2.146 0.000 0.954) 2.348 10.530 ( 6.492 0.000 5.636) 8.598 10.544 ( -1.792 0.000 -1.261) 2.191 10.586 ( -4.466 0.000 -2.382) 5.062 10.634 ( -3.835 0.000 3.621) 5.275 10.744 ( 6.810 0.000 1.577) 6.990 10.815 ( 0.588 0.000 7.542) 7.564 10.852 ( -2.267 0.000 0.540) 2.331 10.870 ( -5.545 0.000 1.918) 5.868 11.069 ( 5.928 0.000 3.850) 7.069 11.098 ( 3.333 0.000 7.505) 8.212 11.103 ( -0.246 0.000 4.452) 4.459 11.157 ( -2.770 0.000 -1.632) 3.215 11.198 ( 4.264 0.000 2.051) 4.732 11.303 ( -0.624 0.000 -1.295) 1.438 11.327 ( -1.500 0.000 -4.871) 5.096 11.357 ( -7.833 0.000 0.623) 7.857 11.450 ( 10.927 0.000 0.091) 10.928 11.627 ( -4.129 0.000 -0.152) 4.132 11.744 ( 1.856 0.000 6.767) 7.016 11.765 ( 2.467 0.000 5.207) 5.762 11.808 ( -4.408 0.000 7.659) 8.837 11.821 ( -2.324 0.000 4.168) 4.772 11.867 ( 0.575 0.000 2.905) 2.962 11.891 ( -1.789 0.000 1.619) 2.413 12.030 ( 1.914 0.000 -1.396) 2.369 12.097 ( -3.849 0.000 -2.199) 4.432 12.147 ( 5.151 0.000 -4.756) 7.010 12.230 ( -3.404 0.000 -5.285) 6.286 12.324 ( 3.210 0.000 3.523) 4.766 12.405 ( -3.577 0.000 -0.608) 3.629 12.498 ( 2.676 0.000 -0.667) 2.758 12.533 ( 6.535 0.000 4.175) 7.755 12.541 ( -0.242 0.000 -2.629) 2.640 12.623 ( -1.297 0.000 1.640) 2.091 12.649 ( 8.304 0.000 -1.673) 8.471 12.679 ( -0.049 0.000 -0.093) 0.105 12.686 ( 0.139 0.000 -0.826) 0.837 12.710 ( -3.301 0.000 -1.368) 3.574 12.823 ( -4.904 0.000 -7.773) 9.191 12.916 ( -7.766 0.000 -7.088) 10.514 12.969 ( 1.832 0.000 -3.704) 4.132 13.031 ( -4.141 0.000 -2.773) 4.984 13.052 ( 6.269 0.000 -10.622) 12.335 13.177 ( 0.635 0.000 -9.680) 9.701 13.214 ( -8.346 0.000 -10.579) 13.475 13.216 ( -2.493 0.000 -4.964) 5.555 13.615 ( 6.690 0.000 -4.276) 7.940 13.673 ( 5.986 0.000 -8.404) 10.318 13.702 ( -0.099 0.000 -6.139) 6.140 13.735 ( 3.069 0.000 -8.136) 8.696 13.849 ( -2.608 0.000 -13.676) 13.922 13.864 ( 1.383 0.000 -5.984) 6.142 13.904 ( -5.659 0.000 -16.224) 17.182 13.945 ( -3.918 0.000 -6.681) 7.745 14.622 ( 2.547 0.000 -0.764) 2.659 14.640 ( -0.056 0.000 -1.008) 1.010 14.930 ( 1.661 0.000 -3.715) 4.070 15.057 ( -10.211 0.000 -9.542) 13.976 17.020 ( 2.821 0.000 5.736) 6.392 17.073 ( -2.247 0.000 4.191) 4.755 17.203 ( 4.408 0.000 4.139) 6.047 17.266 ( -1.582 0.000 2.130) 2.653 17.389 ( 1.245 0.000 2.467) 2.764 17.405 ( -0.092 0.000 1.993) 1.995 17.513 ( 2.326 0.000 -0.061) 2.327 17.545 ( -0.736 0.000 -1.018) 1.256 17.609 ( 2.924 0.000 2.832) 4.071 17.648 ( -0.616 0.000 1.480) 1.603 17.807 ( 1.710 0.000 3.232) 3.656 17.883 ( -5.099 0.000 0.760) 5.155 18.582 ( 1.580 0.000 -5.208) 5.442 18.611 ( -1.058 0.000 -6.166) 6.256 18.702 ( 1.803 0.000 -5.199) 5.503 18.733 ( -1.212 0.000 -5.988) 6.109 19.097 ( 3.065 0.000 -7.251) 7.872 19.157 ( -1.672 0.000 -8.794) 8.952 19.238 ( 0.243 0.000 -8.456) 8.459 19.272 ( 1.657 0.000 -3.292) 3.686 19.273 ( -2.223 0.000 -9.445) 9.703 19.315 ( -2.501 0.000 -3.576) 4.364 19.625 ( 2.106 0.000 -0.986) 2.325 19.687 ( -4.221 0.000 -0.959) 4.328 20.756 ( 0.343 0.000 0.645) 0.731 20.759 ( 0.040 0.000 0.577) 0.579 21.117 ( 3.100 0.000 3.171) 4.434 21.183 ( -3.422 0.000 0.850) 3.526 21.562 ( 4.145 0.000 -1.525) 4.416 21.628 ( -2.024 0.000 -3.591) 4.122 21.763 ( 0.337 0.000 -1.152) 1.200 21.769 ( -0.279 0.000 -1.427) 1.454 21.882 ( 4.201 0.000 -2.294) 4.786 21.935 ( -0.505 0.000 -3.482) 3.519 22.159 ( -1.645 0.000 -3.310) 3.696 22.173 ( -2.741 0.000 -3.889) 4.758 26.586 ( 0.157 0.000 1.490) 1.498 26.590 ( -0.214 0.000 1.408) 1.424 26.624 ( 0.089 0.000 1.819) 1.821 26.627 ( -0.170 0.000 1.803) 1.811 26.913 ( 0.539 0.000 0.400) 0.671 26.922 ( -0.300 0.000 -0.010) 0.300 26.936 ( 0.292 0.000 0.500) 0.578 26.939 ( -0.036 0.000 0.248) 0.250 27.566 ( 1.012 0.000 1.380) 1.712 27.581 ( 0.330 0.000 0.913) 0.971 27.593 ( -0.783 0.000 1.172) 1.409 27.602 ( -0.818 0.000 0.868) 1.193 35.101 ( 7.214 0.000 5.556) 9.106 35.228 ( -4.546 0.000 3.648) 5.829 35.499 ( 7.100 0.000 1.635) 7.286 35.530 ( 2.248 0.000 3.334) 4.021 35.599 ( -3.815 0.000 2.999) 4.853 35.633 ( -5.001 0.000 0.895) 5.080 35.998 ( 11.080 0.000 -7.597) 13.434 36.247 ( -12.344 0.000 -12.376) 17.479 36.850 ( 0.993 0.000 -1.957) 2.194 36.872 ( -1.266 0.000 -1.827) 2.223 37.089 ( 4.584 0.000 -9.137) 10.222 37.184 ( -4.700 0.000 -12.464) 13.321 38.313 ( 2.200 0.000 7.907) 8.207 38.347 ( 1.145 0.000 7.532) 7.618 38.350 ( -1.379 0.000 6.691) 6.832 38.374 ( -1.420 0.000 6.720) 6.869 39.383 ( 0.591 0.000 14.868) 14.880 39.394 ( -0.412 0.000 14.491) 14.497 40.049 ( 5.133 0.000 17.554) 18.289 40.160 ( -5.670 0.000 13.935) 15.045 40.203 ( 1.156 0.000 14.491) 14.537 40.241 ( -2.474 0.000 13.459) 13.685 40.966 ( 10.544 0.000 13.906) 17.452 41.211 ( -13.265 0.000 5.629) 14.410 ======================= Grid point 65 (28/36) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( 0.000 6.177 27.883) 28.559 3.812 ( 0.000 -6.505 22.343) 23.270 4.093 ( 0.000 14.041 30.384) 33.472 4.452 ( 0.000 -14.244 19.290) 23.979 4.654 ( 0.000 0.467 11.075) 11.085 4.664 ( 0.000 -0.353 7.191) 7.200 4.932 ( 0.000 6.820 14.558) 16.076 4.994 ( 0.000 4.423 6.997) 8.278 5.055 ( 0.000 2.730 5.304) 5.966 5.137 ( 0.000 -4.305 7.216) 8.402 5.239 ( 0.000 3.702 17.791) 18.172 5.282 ( 0.000 -1.859 8.325) 8.530 5.387 ( 0.000 0.350 2.020) 2.050 5.453 ( 0.000 -6.433 7.090) 9.573 5.772 ( 0.000 12.278 2.010) 12.441 5.899 ( 0.000 8.206 3.601) 8.962 5.907 ( 0.000 2.431 11.698) 11.948 6.050 ( 0.000 -2.871 10.685) 11.064 6.117 ( 0.000 -11.364 -1.270) 11.435 6.124 ( 0.000 3.629 11.254) 11.824 6.246 ( 0.000 -3.131 5.535) 6.359 6.266 ( 0.000 -13.561 -7.234) 15.369 6.348 ( 0.000 -2.188 10.093) 10.327 6.395 ( 0.000 3.131 1.311) 3.394 6.544 ( 0.000 1.543 -7.483) 7.640 6.567 ( 0.000 0.159 -9.653) 9.654 6.648 ( 0.000 -8.277 1.591) 8.428 6.694 ( 0.000 -2.809 0.020) 2.809 6.721 ( 0.000 6.388 -5.448) 8.396 6.807 ( 0.000 0.766 -1.498) 1.682 6.887 ( 0.000 -2.226 -3.817) 4.418 6.919 ( 0.000 1.777 -4.840) 5.156 6.926 ( 0.000 -2.172 2.459) 3.281 7.094 ( 0.000 -7.105 -6.946) 9.936 7.139 ( 0.000 2.384 -13.252) 13.465 7.167 ( 0.000 -0.647 -6.659) 6.690 7.290 ( 0.000 -3.187 -6.600) 7.329 7.298 ( 0.000 -1.433 -7.009) 7.154 7.435 ( 0.000 -3.465 0.687) 3.533 7.438 ( 0.000 -6.008 -1.498) 6.192 7.500 ( 0.000 3.679 -13.477) 13.971 7.563 ( 0.000 -3.902 -7.690) 8.624 7.571 ( 0.000 5.961 -6.940) 9.149 7.699 ( 0.000 -2.754 -11.803) 12.120 7.774 ( 0.000 -3.848 13.269) 13.816 7.779 ( 0.000 2.119 9.260) 9.500 7.833 ( 0.000 2.126 4.295) 4.792 7.929 ( 0.000 2.318 1.116) 2.573 7.986 ( 0.000 2.828 -2.185) 3.574 7.994 ( 0.000 1.528 -7.615) 7.767 8.140 ( 0.000 4.451 12.143) 12.933 8.188 ( 0.000 2.446 -1.418) 2.827 8.229 ( 0.000 6.617 1.512) 6.787 8.340 ( 0.000 7.265 4.298) 8.441 8.368 ( 0.000 1.029 -0.974) 1.417 8.401 ( 0.000 -6.352 -2.072) 6.681 8.441 ( 0.000 -1.322 -5.566) 5.721 8.515 ( 0.000 -1.037 -7.601) 7.671 8.665 ( 0.000 10.198 12.792) 16.360 8.680 ( 0.000 2.881 1.145) 3.100 8.736 ( 0.000 -3.602 -0.121) 3.604 8.859 ( 0.000 -8.561 7.473) 11.363 8.889 ( 0.000 6.079 -5.361) 8.105 8.963 ( 0.000 6.020 1.684) 6.252 9.035 ( 0.000 -8.752 -6.512) 10.909 9.036 ( 0.000 3.738 1.075) 3.889 9.192 ( 0.000 -6.908 5.368) 8.748 9.233 ( 0.000 -8.446 -1.358) 8.554 9.354 ( 0.000 -0.075 2.608) 2.609 9.369 ( 0.000 0.082 -1.238) 1.241 9.398 ( 0.000 1.347 -4.005) 4.225 9.451 ( 0.000 -0.827 -6.850) 6.900 9.515 ( 0.000 4.896 -6.965) 8.514 9.586 ( 0.000 6.854 -5.704) 8.917 9.634 ( 0.000 3.170 -6.058) 6.838 9.690 ( 0.000 2.572 -5.615) 6.176 9.731 ( 0.000 -4.396 2.347) 4.983 9.822 ( 0.000 -8.121 0.478) 8.135 9.858 ( 0.000 4.003 3.707) 5.456 9.917 ( 0.000 3.608 -4.876) 6.066 10.046 ( 0.000 6.861 2.363) 7.256 10.089 ( 0.000 -0.546 1.054) 1.187 10.189 ( 0.000 -0.422 -0.161) 0.452 10.195 ( 0.000 -2.884 0.895) 3.020 10.236 ( 0.000 2.372 -0.992) 2.571 10.316 ( 0.000 -3.495 -0.298) 3.508 10.482 ( 0.000 -4.163 5.975) 7.282 10.526 ( 0.000 -5.316 6.883) 8.697 10.570 ( 0.000 1.938 5.981) 6.287 10.657 ( 0.000 2.832 11.347) 11.696 10.662 ( 0.000 2.848 14.098) 14.382 10.663 ( 0.000 -1.465 0.006) 1.465 10.854 ( 0.000 -1.864 -0.261) 1.882 10.930 ( 0.000 0.801 4.240) 4.315 10.942 ( 0.000 -0.823 1.135) 1.402 11.017 ( 0.000 -10.447 -5.825) 11.962 11.079 ( 0.000 1.236 2.095) 2.433 11.122 ( 0.000 -2.448 1.560) 2.903 11.263 ( 0.000 5.089 6.055) 7.910 11.338 ( 0.000 0.001 -0.715) 0.715 11.371 ( 0.000 7.185 5.972) 9.343 11.469 ( 0.000 -0.420 0.549) 0.691 11.503 ( 0.000 3.138 -1.114) 3.330 11.581 ( 0.000 -0.042 2.011) 2.011 11.678 ( 0.000 1.064 -1.000) 1.460 11.703 ( 0.000 -0.047 1.760) 1.760 11.768 ( 0.000 -3.561 0.731) 3.636 11.816 ( 0.000 -7.881 -0.126) 7.882 11.923 ( 0.000 -1.685 1.516) 2.267 11.941 ( 0.000 -2.040 -0.720) 2.164 12.038 ( 0.000 9.412 4.565) 10.461 12.065 ( 0.000 6.398 1.994) 6.702 12.212 ( 0.000 -5.248 -1.165) 5.376 12.231 ( 0.000 -5.489 2.345) 5.969 12.272 ( 0.000 3.014 4.001) 5.009 12.329 ( 0.000 1.085 3.569) 3.730 12.443 ( 0.000 0.771 0.638) 1.000 12.495 ( 0.000 -2.419 -2.044) 3.167 12.555 ( 0.000 3.703 0.477) 3.733 12.569 ( 0.000 2.626 -1.890) 3.236 12.631 ( 0.000 -2.460 -1.096) 2.693 12.652 ( 0.000 -2.202 1.795) 2.841 12.741 ( 0.000 4.614 -6.132) 7.674 12.745 ( 0.000 1.197 -0.704) 1.389 12.917 ( 0.000 -1.975 -6.719) 7.003 12.967 ( 0.000 -5.753 -8.914) 10.610 13.060 ( 0.000 1.776 -3.926) 4.309 13.093 ( 0.000 -1.387 -7.404) 7.532 13.120 ( 0.000 4.922 -3.297) 5.925 13.195 ( 0.000 -2.255 -6.473) 6.854 13.356 ( 0.000 1.158 -8.876) 8.951 13.367 ( 0.000 -0.202 -3.850) 3.855 13.487 ( 0.000 2.604 -11.622) 11.910 13.508 ( 0.000 -2.436 -5.000) 5.562 13.533 ( 0.000 3.726 -1.757) 4.119 13.619 ( 0.000 -1.840 -4.893) 5.228 13.896 ( 0.000 -1.501 -14.476) 14.554 13.945 ( 0.000 -5.409 -13.646) 14.679 13.963 ( 0.000 0.966 -6.181) 6.256 13.993 ( 0.000 -0.565 -7.289) 7.311 14.708 ( 0.000 10.693 -8.347) 13.565 14.716 ( 0.000 4.742 -3.420) 5.846 14.957 ( 0.000 0.150 -0.704) 0.720 15.198 ( 0.000 -14.794 -14.685) 20.845 16.981 ( 0.000 2.533 7.042) 7.484 17.038 ( 0.000 -2.150 6.363) 6.716 17.164 ( 0.000 2.946 1.652) 3.378 17.216 ( 0.000 -1.550 1.307) 2.027 17.386 ( 0.000 1.239 2.603) 2.883 17.388 ( 0.000 1.404 1.968) 2.418 17.438 ( 0.000 -0.784 3.586) 3.671 17.463 ( 0.000 -2.657 3.284) 4.224 17.619 ( 0.000 3.980 1.020) 4.109 17.676 ( 0.000 0.639 -0.021) 0.640 17.812 ( 0.000 1.291 3.125) 3.381 17.925 ( 0.000 -6.533 -1.080) 6.621 18.596 ( 0.000 2.229 -5.268) 5.720 18.619 ( 0.000 -0.255 -6.451) 6.456 18.681 ( 0.000 2.534 -5.460) 6.020 18.736 ( 0.000 -1.592 -6.746) 6.931 19.064 ( 0.000 1.780 -8.193) 8.384 19.107 ( 0.000 -1.523 -8.962) 9.090 19.250 ( 0.000 0.547 -5.993) 6.018 19.273 ( 0.000 -1.456 -7.593) 7.731 19.361 ( 0.000 3.302 -6.947) 7.692 19.412 ( 0.000 0.509 -5.051) 5.076 19.568 ( 0.000 0.308 -2.551) 2.570 19.691 ( 0.000 -9.061 -3.621) 9.757 20.829 ( 0.000 6.159 2.251) 6.558 20.916 ( 0.000 7.650 0.294) 7.656 21.002 ( 0.000 -0.057 2.945) 2.946 21.195 ( 0.000 -7.063 -2.294) 7.426 21.472 ( 0.000 0.833 2.243) 2.393 21.529 ( 0.000 -4.528 0.824) 4.602 21.706 ( 0.000 -0.491 -2.618) 2.663 21.725 ( 0.000 -1.708 -2.119) 2.722 21.905 ( 0.000 3.477 -1.759) 3.896 21.928 ( 0.000 0.999 -2.297) 2.504 22.237 ( 0.000 0.346 -3.296) 3.314 22.255 ( 0.000 -1.035 -4.243) 4.367 26.596 ( 0.000 0.916 1.725) 1.953 26.601 ( 0.000 0.588 1.553) 1.660 26.616 ( 0.000 -0.598 1.696) 1.798 26.620 ( 0.000 -0.958 1.772) 2.014 26.901 ( 0.000 0.201 0.845) 0.869 26.910 ( 0.000 -0.568 0.531) 0.778 26.937 ( 0.000 0.307 0.211) 0.372 26.939 ( 0.000 0.107 0.149) 0.184 27.550 ( 0.000 0.362 1.303) 1.352 27.559 ( 0.000 -0.402 1.062) 1.135 27.621 ( 0.000 0.139 0.927) 0.938 27.624 ( 0.000 -0.145 0.952) 0.963 34.998 ( 0.000 6.321 3.839) 7.396 35.165 ( 0.000 -7.243 0.152) 7.244 35.364 ( 0.000 3.502 -3.156) 4.714 35.468 ( 0.000 -4.789 -2.858) 5.577 35.621 ( 0.000 3.640 7.996) 8.786 35.691 ( 0.000 -1.531 7.720) 7.870 36.000 ( 0.000 8.727 -0.369) 8.734 36.276 ( 0.000 -14.493 -7.076) 16.128 36.936 ( 0.000 1.602 -3.002) 3.402 36.963 ( 0.000 -0.691 -4.427) 4.481 37.045 ( 0.000 11.032 -10.224) 15.041 37.236 ( 0.000 -5.546 -14.514) 15.538 38.265 ( 0.000 1.078 9.048) 9.112 38.300 ( 0.000 -1.784 8.615) 8.798 38.382 ( 0.000 0.814 5.455) 5.515 38.400 ( 0.000 -0.711 5.648) 5.692 39.466 ( 0.000 7.527 15.863) 17.558 39.494 ( 0.000 8.261 14.920) 17.055 39.729 ( 0.000 -11.007 16.977) 20.233 39.831 ( 0.000 -17.454 13.634) 22.148 40.414 ( 0.000 12.007 18.653) 22.184 40.628 ( 0.000 -4.813 20.487) 21.044 40.895 ( 0.000 21.732 4.776) 22.251 41.360 ( 0.000 -16.510 -3.336) 16.844 ======================= Grid point 66 (29/36) ======================= q-point: ( 0.20 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 15.274 4.877 27.145) 31.527 3.947 ( 12.925 -4.655 22.900) 26.704 4.166 ( 6.973 12.549 27.616) 31.125 4.488 ( 2.779 -11.674 16.878) 20.709 4.627 ( -2.170 3.966 13.626) 14.357 4.693 ( 2.237 -1.010 8.739) 9.077 4.930 ( -0.711 6.176 8.207) 10.295 4.982 ( -1.304 2.181 11.962) 12.229 5.048 ( -2.674 1.691 7.176) 7.843 5.075 ( -6.052 -0.617 10.881) 12.467 5.171 ( -2.154 3.849 11.256) 12.089 5.296 ( -1.772 -5.029 6.491) 8.400 5.348 ( -2.916 2.736 8.112) 9.044 5.437 ( -1.464 -4.692 6.687) 8.299 5.672 ( -14.238 1.517 11.629) 18.446 5.789 ( 0.893 7.857 5.655) 9.721 5.909 ( -2.066 0.459 4.277) 4.773 5.936 ( -13.052 -11.000 10.004) 19.784 6.044 ( -4.245 -7.480 9.578) 12.873 6.071 ( -4.387 -9.093 -6.981) 12.274 6.236 ( 4.061 5.979 2.336) 7.596 6.297 ( 1.217 6.558 3.778) 7.665 6.363 ( -1.086 0.175 1.739) 2.058 6.428 ( 1.703 -1.398 -0.643) 2.295 6.510 ( -1.050 4.010 -8.687) 9.625 6.587 ( -4.164 0.117 -6.110) 7.395 6.618 ( -2.447 -7.139 -3.498) 8.318 6.691 ( 0.645 5.384 -7.002) 8.856 6.714 ( 3.572 -5.329 -9.135) 11.163 6.781 ( -1.108 -5.329 1.790) 5.729 6.848 ( -0.123 0.536 -2.736) 2.791 6.941 ( -3.312 2.123 -10.030) 10.774 7.055 ( 2.805 -2.783 -2.812) 4.849 7.087 ( 1.733 -1.805 -8.247) 8.618 7.159 ( 1.210 -6.202 -4.446) 7.726 7.192 ( -0.366 -5.136 -6.386) 8.203 7.241 ( -1.336 6.492 -8.119) 10.481 7.310 ( 2.183 -2.558 -8.065) 8.738 7.379 ( -2.240 0.450 -3.109) 3.858 7.451 ( -0.206 -1.097 -2.084) 2.364 7.507 ( 2.714 -4.693 -2.408) 5.932 7.515 ( 0.932 -0.119 -6.155) 6.226 7.637 ( 1.070 4.127 -0.498) 4.293 7.690 ( -6.901 -1.815 5.690) 9.127 7.740 ( 3.107 1.807 2.533) 4.397 7.814 ( 5.384 -2.772 -8.881) 10.749 7.846 ( 1.346 4.807 9.925) 11.110 7.909 ( 1.790 3.797 -0.021) 4.197 7.992 ( 4.059 0.557 -0.019) 4.097 8.056 ( 0.295 -2.046 6.733) 7.044 8.179 ( 3.082 6.644 6.401) 9.727 8.192 ( -1.210 1.856 0.514) 2.274 8.281 ( -6.533 0.131 4.645) 8.017 8.362 ( 3.462 7.315 1.160) 8.176 8.400 ( 9.546 6.445 -4.930) 12.529 8.417 ( 3.843 -1.069 2.941) 4.956 8.467 ( -1.203 -0.798 4.450) 4.678 8.574 ( 5.215 -3.126 -1.171) 6.191 8.632 ( -2.328 0.727 0.536) 2.497 8.653 ( -1.430 -3.796 -1.386) 4.287 8.693 ( -4.232 2.005 1.296) 4.859 8.812 ( 0.931 -0.375 -1.257) 1.609 8.910 ( -4.882 5.410 -0.960) 7.350 8.999 ( 0.696 -3.740 -0.171) 3.808 9.010 ( 1.935 -5.721 -3.439) 6.950 9.092 ( 3.581 -1.686 0.047) 3.958 9.185 ( -4.064 -2.430 -7.152) 8.577 9.249 ( -2.730 -1.467 -3.107) 4.388 9.253 ( 3.871 4.574 -0.020) 5.992 9.370 ( -4.678 -0.545 0.995) 4.814 9.438 ( 5.334 1.023 -0.806) 5.491 9.485 ( 4.787 0.262 -1.447) 5.007 9.546 ( -5.803 5.309 -2.887) 8.378 9.602 ( 4.485 3.126 -1.947) 5.804 9.624 ( -0.257 0.831 -2.795) 2.927 9.697 ( 0.670 -3.210 -2.013) 3.848 9.741 ( 2.917 0.273 -2.886) 4.113 9.815 ( 3.682 -4.828 2.865) 6.713 9.865 ( -3.735 2.723 -1.638) 4.904 9.893 ( -1.061 -1.405 4.243) 4.594 10.030 ( -2.104 4.922 2.693) 5.992 10.049 ( -4.723 -1.251 1.656) 5.159 10.132 ( -2.317 2.506 0.048) 3.414 10.204 ( 1.114 -3.392 -1.053) 3.722 10.332 ( 2.092 -0.318 -1.433) 2.556 10.343 ( 1.879 -0.024 -1.643) 2.496 10.434 ( -0.588 -2.677 3.010) 4.072 10.509 ( -0.981 -6.828 2.991) 7.518 10.572 ( 2.378 3.747 5.263) 6.884 10.648 ( 2.140 2.145 4.871) 5.736 10.722 ( 3.800 -1.998 8.529) 9.549 10.744 ( 2.738 3.307 5.746) 7.173 10.868 ( -0.954 -4.573 3.291) 5.715 10.888 ( -0.149 -2.205 -1.073) 2.457 10.974 ( 0.256 0.555 0.297) 0.679 11.023 ( 3.442 0.297 0.739) 3.533 11.085 ( -2.966 -2.639 4.155) 5.746 11.109 ( -0.662 -4.768 2.213) 5.298 11.266 ( -0.534 4.193 4.432) 6.125 11.312 ( 2.585 4.612 0.078) 5.287 11.386 ( -4.155 0.518 2.691) 4.977 11.440 ( 3.203 0.270 0.781) 3.308 11.510 ( 1.092 6.609 -0.848) 6.752 11.625 ( 1.604 0.726 0.298) 1.786 11.705 ( 2.253 1.445 2.504) 3.665 11.719 ( 2.989 -1.081 1.697) 3.603 11.803 ( 2.971 -2.504 1.861) 4.308 11.847 ( -0.233 -5.856 1.233) 5.989 11.910 ( -3.535 1.168 4.495) 5.837 11.927 ( 1.055 -2.062 -0.391) 2.350 12.033 ( -2.811 6.931 3.860) 8.416 12.082 ( 3.315 4.735 0.173) 5.783 12.143 ( -3.309 -2.779 -2.010) 4.766 12.243 ( 0.071 -6.896 3.242) 7.621 12.295 ( -0.651 1.572 -3.363) 3.769 12.345 ( 1.819 -0.706 2.036) 2.820 12.437 ( 0.294 0.704 2.887) 2.986 12.487 ( 0.633 -2.543 0.820) 2.746 12.549 ( -0.967 4.259 0.017) 4.368 12.587 ( 1.528 2.069 -1.472) 2.963 12.608 ( -1.323 -2.997 -0.254) 3.286 12.662 ( -1.974 -3.785 0.305) 4.280 12.686 ( 0.985 4.259 -3.907) 5.863 12.756 ( -1.498 -1.072 -0.932) 2.065 12.900 ( -1.469 -1.666 -8.125) 8.424 12.942 ( -3.035 -3.539 -5.893) 7.514 12.995 ( -5.877 2.727 -5.773) 8.678 13.066 ( -1.685 -2.165 -8.816) 9.233 13.106 ( -0.844 5.542 -4.318) 7.076 13.225 ( 1.181 -2.123 -6.809) 7.229 13.303 ( -2.146 4.434 -6.403) 8.079 13.392 ( -0.541 -1.574 -6.511) 6.721 13.500 ( 2.312 2.351 -9.255) 9.824 13.561 ( 1.428 -1.731 -8.996) 9.271 13.586 ( 6.188 3.078 -4.924) 8.486 13.660 ( 5.646 -1.587 -4.494) 7.388 13.854 ( -3.494 -3.285 -12.388) 13.284 13.872 ( -5.256 -3.949 -11.679) 13.402 13.961 ( -1.170 1.545 -7.181) 7.438 14.005 ( -0.566 -1.219 -8.327) 8.435 14.705 ( 0.039 6.662 -4.120) 7.833 14.720 ( 0.511 7.497 -5.843) 9.519 14.920 ( -3.250 -0.686 -0.810) 3.419 15.118 ( -7.227 -12.329 -12.132) 18.746 17.005 ( 2.181 2.776 6.573) 7.461 17.071 ( 3.061 -2.677 5.803) 7.085 17.149 ( -1.286 2.883 2.507) 4.031 17.220 ( -0.078 -2.982 1.573) 3.372 17.396 ( 1.235 1.938 2.595) 3.466 17.414 ( 1.862 1.483 1.582) 2.858 17.451 ( 1.254 -1.010 2.794) 3.225 17.484 ( 1.769 -2.815 1.925) 3.842 17.633 ( 1.498 4.283 1.490) 4.775 17.681 ( 0.570 1.240 0.303) 1.398 17.803 ( -0.828 0.804 2.859) 3.083 17.897 ( -2.716 -5.797 -0.559) 6.426 18.604 ( 0.779 2.493 -5.182) 5.803 18.625 ( 0.406 0.131 -6.231) 6.245 18.677 ( -0.268 1.326 -5.388) 5.555 18.727 ( -0.927 -1.982 -6.426) 6.788 19.076 ( 1.258 1.815 -7.924) 8.226 19.121 ( 1.377 -1.794 -8.826) 9.111 19.231 ( -2.010 -0.162 -6.956) 7.242 19.250 ( -1.907 -1.638 -7.457) 7.869 19.371 ( 0.875 4.391 -5.963) 7.457 19.417 ( 0.346 2.445 -4.490) 5.124 19.556 ( -0.906 -1.515 -2.428) 3.002 19.656 ( -3.115 -8.223 -2.691) 9.196 20.837 ( 0.845 6.582 2.069) 6.951 20.911 ( -0.672 9.552 0.117) 9.576 21.007 ( 0.745 -3.449 3.606) 5.045 21.164 ( -2.803 -7.378 -1.193) 7.982 21.504 ( 3.260 1.714 0.901) 3.792 21.576 ( 3.779 -4.422 -0.924) 5.890 21.697 ( -0.972 -0.471 -2.673) 2.882 21.722 ( -0.412 -2.051 -2.272) 3.088 21.926 ( 2.098 3.890 -1.879) 4.803 21.951 ( 2.171 1.327 -2.491) 3.560 22.205 ( -3.091 -0.038 -3.237) 4.476 22.220 ( -3.292 -1.196 -4.054) 5.358 26.595 ( -0.053 0.853 1.671) 1.877 26.601 ( -0.044 0.634 1.522) 1.649 26.615 ( -0.050 -0.690 1.726) 1.859 26.619 ( -0.076 -0.860 1.719) 1.924 26.906 ( 0.477 0.266 0.719) 0.903 26.915 ( 0.453 -0.479 0.426) 0.785 26.937 ( -0.090 0.259 0.223) 0.353 26.939 ( -0.019 0.022 0.132) 0.135 27.555 ( 0.521 0.381 1.303) 1.454 27.565 ( 0.524 -0.400 1.038) 1.229 27.614 ( -0.724 0.093 0.981) 1.223 27.616 ( -0.739 -0.118 0.976) 1.230 35.047 ( 4.746 6.119 4.197) 8.808 35.206 ( 3.912 -6.470 0.779) 7.601 35.374 ( -0.028 3.180 0.260) 3.190 35.490 ( 0.603 -5.779 0.329) 5.819 35.623 ( 0.924 4.620 4.917) 6.810 35.714 ( 3.561 -1.695 2.288) 4.560 35.959 ( -3.916 8.189 -0.623) 9.098 36.226 ( -5.051 -13.782 -7.283) 16.386 36.934 ( 0.143 2.841 -3.292) 4.351 36.989 ( 2.189 -1.211 -5.507) 6.049 37.024 ( -1.775 9.852 -9.056) 13.499 37.206 ( -2.868 -5.384 -13.574) 14.882 38.282 ( 1.542 0.905 8.726) 8.907 38.310 ( 0.998 -1.442 8.354) 8.536 38.376 ( -0.579 0.683 5.801) 5.870 38.392 ( -0.835 -0.580 5.932) 6.018 39.469 ( 0.311 7.795 15.647) 17.484 39.494 ( 0.004 8.344 14.790) 16.982 39.731 ( 0.293 -12.115 16.640) 20.585 39.814 ( -1.562 -17.082 13.925) 22.093 40.442 ( 2.940 13.267 17.948) 22.512 40.673 ( 4.133 -2.998 18.325) 19.023 40.840 ( -4.839 17.897 7.333) 19.937 41.269 ( -8.515 -15.401 -0.003) 17.598 ======================= Grid point 67 (30/36) ======================= q-point: ( 0.40 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 18.012 4.333 26.464) 32.304 4.271 ( 15.911 -0.586 22.662) 27.697 4.336 ( 8.318 5.232 19.585) 21.912 4.466 ( -7.460 0.902 19.426) 20.829 4.594 ( 0.564 6.117 15.496) 16.670 4.755 ( 3.545 -1.062 11.373) 11.960 4.799 ( -14.644 2.073 15.965) 21.763 4.870 ( -6.995 1.142 11.245) 13.292 4.995 ( 1.218 0.892 11.041) 11.144 5.029 ( 1.236 -0.194 12.413) 12.476 5.164 ( -3.720 -2.011 3.875) 5.736 5.187 ( -5.263 -4.566 6.150) 9.294 5.293 ( 0.948 7.156 10.930) 13.099 5.398 ( -5.294 3.812 7.853) 10.209 5.520 ( 2.038 -9.017 5.579) 10.798 5.657 ( -10.994 -14.134 6.761) 19.140 5.815 ( 2.689 2.031 5.848) 6.749 5.891 ( -2.623 0.964 2.537) 3.775 5.970 ( -1.528 -8.012 3.582) 8.909 6.004 ( -2.828 -6.458 -0.102) 7.051 6.275 ( 1.781 4.272 3.464) 5.781 6.319 ( 0.412 4.016 0.519) 4.070 6.344 ( -1.525 2.988 1.812) 3.813 6.409 ( -4.341 1.465 -1.772) 4.912 6.479 ( 3.186 4.374 -8.164) 9.795 6.575 ( -4.208 2.261 -12.028) 12.942 6.608 ( 4.438 -4.721 -9.200) 11.253 6.688 ( -2.371 -5.876 -10.331) 12.120 6.734 ( 2.380 1.037 -5.818) 6.371 6.782 ( -0.210 -3.408 -0.671) 3.480 6.841 ( -2.297 -3.149 -5.945) 7.109 6.859 ( -1.670 -0.059 -15.053) 15.145 7.013 ( -3.515 -1.384 -5.890) 6.997 7.048 ( -5.265 5.557 -8.958) 11.783 7.139 ( 3.997 -4.287 -7.084) 9.194 7.211 ( -0.620 -7.095 -6.822) 9.862 7.326 ( 4.002 4.499 -3.825) 7.134 7.377 ( 0.930 3.121 -11.673) 12.119 7.411 ( 5.761 2.203 6.016) 8.616 7.461 ( 3.514 0.936 -3.596) 5.114 7.517 ( -5.578 1.281 5.353) 7.837 7.572 ( 0.289 -1.623 2.470) 2.970 7.590 ( 3.286 -7.919 0.488) 8.587 7.632 ( -2.399 -3.078 4.235) 5.759 7.819 ( 1.386 6.673 4.160) 7.984 7.875 ( 0.183 3.629 0.246) 3.642 7.900 ( 3.369 4.477 5.735) 8.018 7.936 ( 1.157 7.678 3.188) 8.394 8.028 ( -0.910 -5.148 7.122) 8.835 8.090 ( -3.476 1.887 4.573) 6.046 8.146 ( 5.497 -5.826 -1.404) 8.132 8.207 ( -0.993 -2.796 4.128) 5.084 8.264 ( 4.328 4.732 1.198) 6.524 8.379 ( -5.173 2.518 2.513) 6.279 8.436 ( 1.755 -5.778 4.191) 7.351 8.499 ( 2.533 2.750 0.396) 3.760 8.518 ( 0.832 -1.220 9.211) 9.329 8.580 ( 1.806 1.505 -2.383) 3.348 8.638 ( 2.561 4.842 -2.405) 5.982 8.653 ( 1.886 1.726 -4.213) 4.928 8.715 ( -4.745 2.708 -1.981) 5.811 8.762 ( 1.568 0.482 -5.813) 6.040 8.901 ( 2.405 -1.127 3.914) 4.730 8.964 ( -3.287 -3.884 -3.699) 6.290 9.016 ( 1.050 0.851 -3.526) 3.776 9.064 ( -5.902 4.718 -0.133) 7.557 9.158 ( -1.768 -4.075 1.968) 4.858 9.202 ( -5.023 -2.869 -0.255) 5.791 9.250 ( 5.387 4.636 -2.615) 7.573 9.386 ( -3.163 0.706 -4.061) 5.195 9.437 ( 2.330 -6.457 -8.869) 11.215 9.526 ( -3.229 -4.210 -3.931) 6.604 9.595 ( 7.928 4.960 4.039) 10.186 9.662 ( 3.422 -1.677 0.078) 3.812 9.671 ( 4.132 5.703 2.822) 7.588 9.726 ( -3.595 2.072 5.745) 7.086 9.737 ( 2.520 0.370 -3.600) 4.410 9.852 ( 0.052 -1.531 1.841) 2.395 9.891 ( 2.439 1.875 1.321) 3.348 9.903 ( 1.588 -4.471 4.123) 6.286 9.957 ( -3.962 0.761 3.990) 5.674 9.986 ( 1.399 0.968 -0.801) 1.880 10.041 ( -5.296 -0.841 0.826) 5.425 10.140 ( -6.931 -5.636 -4.903) 10.191 10.349 ( 3.471 2.930 0.333) 4.554 10.401 ( 0.117 0.553 1.270) 1.390 10.447 ( 1.427 -4.021 -3.575) 5.566 10.490 ( -1.622 -4.902 -1.343) 5.335 10.667 ( 5.077 6.526 3.159) 8.851 10.710 ( 1.099 2.868 2.167) 3.759 10.753 ( 1.422 -0.046 3.209) 3.511 10.778 ( 1.027 0.797 2.700) 2.997 10.853 ( 1.213 -1.976 2.858) 3.680 10.895 ( -0.972 -3.391 -0.575) 3.574 10.951 ( -2.440 -3.641 -0.205) 4.388 10.966 ( -5.362 -3.367 1.937) 6.621 11.130 ( 4.467 0.785 6.943) 8.293 11.153 ( 5.600 -0.017 6.585) 8.645 11.251 ( -3.537 0.883 6.656) 7.589 11.270 ( -2.419 -2.314 6.367) 7.194 11.451 ( 5.301 8.675 -4.043) 10.940 11.520 ( 0.504 9.515 -6.110) 11.320 11.545 ( 6.281 2.539 -0.539) 6.796 11.630 ( 0.012 1.260 -2.085) 2.437 11.731 ( -0.796 -1.476 4.414) 4.722 11.766 ( -4.415 -1.832 3.882) 6.157 11.775 ( -1.070 -2.394 6.845) 7.330 11.820 ( -3.220 -2.295 3.218) 5.098 11.882 ( 2.926 3.696 4.411) 6.456 11.946 ( 0.026 2.929 3.154) 4.304 11.979 ( 0.398 -0.697 2.254) 2.393 12.056 ( -3.804 -2.029 -0.412) 4.331 12.184 ( 4.234 1.874 -3.876) 6.038 12.246 ( -1.552 0.623 -2.567) 3.064 12.282 ( 1.689 -4.313 -1.823) 4.978 12.335 ( -2.457 -4.532 -1.699) 5.428 12.485 ( 3.676 -0.769 1.982) 4.247 12.514 ( 0.769 -0.428 2.312) 2.474 12.527 ( -0.223 -0.670 -0.049) 0.708 12.586 ( -2.285 -1.814 2.296) 3.712 12.631 ( 1.718 0.668 -1.640) 2.467 12.656 ( 4.466 -0.289 -0.383) 4.491 12.698 ( -3.848 -0.208 0.145) 3.857 12.741 ( 0.505 -0.045 -1.487) 1.571 12.831 ( -2.460 -0.596 -6.114) 6.617 12.881 ( 0.656 -4.818 -5.373) 7.246 12.905 ( -3.705 2.368 -6.915) 8.194 12.981 ( -6.865 -3.530 -5.350) 9.392 13.144 ( 4.163 7.838 -9.645) 13.107 13.217 ( -2.311 5.564 -9.787) 11.493 13.281 ( 0.969 1.257 -8.066) 8.221 13.340 ( -3.862 0.332 -10.137) 10.852 13.577 ( 4.453 0.604 -7.954) 9.136 13.606 ( 2.447 -1.373 -10.479) 10.848 13.713 ( 4.011 -0.163 -11.781) 12.446 13.745 ( -2.765 -5.887 -10.507) 12.358 13.795 ( -0.003 -1.613 -6.203) 6.409 13.817 ( 4.538 0.166 -6.155) 7.649 13.899 ( -4.254 1.558 -6.856) 8.217 13.952 ( -4.736 -1.515 -7.339) 8.865 14.718 ( 1.318 5.930 -2.134) 6.438 14.738 ( 0.383 8.169 -3.845) 9.037 14.871 ( 0.128 -4.445 -2.842) 5.277 14.959 ( -7.525 -7.840 -7.284) 13.082 17.058 ( 2.882 3.144 5.389) 6.873 17.109 ( -1.933 2.976 3.831) 5.222 17.146 ( 3.175 -3.854 4.604) 6.792 17.201 ( -1.913 -4.348 2.887) 5.558 17.425 ( 1.428 2.430 2.030) 3.473 17.440 ( 0.260 2.514 1.511) 2.944 17.483 ( 1.714 -2.219 0.928) 2.953 17.505 ( -0.130 -2.760 0.275) 2.776 17.680 ( 2.694 4.835 1.761) 5.809 17.698 ( 0.791 3.132 1.147) 3.428 17.787 ( -0.145 -1.515 2.203) 2.677 17.828 ( -3.702 -4.320 0.821) 5.748 18.622 ( 0.760 2.840 -5.253) 6.019 18.630 ( -0.024 1.609 -5.738) 5.959 18.679 ( 0.640 -1.628 -5.321) 5.601 18.702 ( -1.432 -2.572 -5.709) 6.423 19.114 ( 2.530 1.472 -7.574) 8.120 19.155 ( 1.317 -1.178 -8.656) 8.834 19.178 ( -2.296 -0.919 -7.150) 7.566 19.207 ( -2.372 -2.453 -7.760) 8.477 19.393 ( 1.331 6.321 -4.400) 7.816 19.416 ( -0.678 6.185 -3.851) 7.317 19.550 ( 0.729 -5.520 -2.190) 5.983 19.589 ( -3.051 -7.050 -1.847) 7.901 20.860 ( 1.380 7.841 1.565) 8.114 20.889 ( -1.404 9.589 0.787) 9.723 21.039 ( 2.486 -6.443 2.838) 7.466 21.099 ( -3.353 -7.281 0.921) 8.069 21.584 ( 4.085 2.033 -1.749) 4.887 21.638 ( 0.458 -0.053 -3.227) 3.259 21.674 ( 0.110 -3.375 -1.974) 3.912 21.705 ( -1.376 -3.239 -2.482) 4.306 21.985 ( 3.428 4.944 -2.331) 6.452 22.004 ( 2.349 3.579 -2.796) 5.113 22.131 ( -3.352 -1.949 -3.101) 4.965 22.142 ( -3.822 -2.385 -3.513) 5.713 26.596 ( 0.101 0.773 1.567) 1.751 26.599 ( -0.167 0.693 1.499) 1.660 26.615 ( 0.048 -0.762 1.725) 1.887 26.617 ( -0.130 -0.786 1.698) 1.875 26.918 ( 0.632 0.394 0.405) 0.848 26.924 ( 0.293 0.046 0.154) 0.334 26.933 ( -0.161 -0.105 0.358) 0.407 26.937 ( -0.246 -0.232 0.188) 0.387 27.570 ( 0.991 0.376 1.265) 1.650 27.579 ( 0.828 -0.282 0.994) 1.324 27.594 ( -1.119 0.120 1.156) 1.613 27.599 ( -0.958 -0.257 0.966) 1.384 35.170 ( 6.973 5.718 4.960) 10.292 35.280 ( -0.765 2.618 3.027) 4.075 35.350 ( 1.526 -5.306 4.890) 7.375 35.445 ( -4.747 -7.153 4.034) 9.486 35.693 ( 5.997 8.194 -0.434) 10.164 35.807 ( -1.601 7.858 -2.771) 8.484 35.901 ( 4.762 -5.507 -3.875) 8.248 36.080 ( -9.242 -11.492 -7.274) 16.444 36.947 ( 1.129 5.323 -4.489) 7.054 36.979 ( -2.040 8.208 -6.751) 10.822 37.052 ( 3.678 -3.352 -7.880) 9.319 37.132 ( -4.169 -4.707 -11.041) 12.705 38.320 ( 2.072 0.587 7.849) 8.139 38.337 ( 1.579 -0.790 7.625) 7.826 38.356 ( -1.471 0.492 6.728) 6.904 38.368 ( -1.477 -0.465 6.694) 6.871 39.479 ( 0.640 8.314 15.132) 17.278 39.491 ( -0.408 8.543 14.732) 17.035 39.744 ( 1.128 -14.396 15.815) 21.416 39.776 ( -1.982 -16.103 14.757) 21.932 40.533 ( 6.069 16.407 15.368) 23.286 40.669 ( -6.623 19.545 11.308) 23.532 40.849 ( 8.349 -9.739 14.224) 19.154 41.059 ( -11.609 -12.923 7.413) 18.888 ======================= Grid point 75 (31/36) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 0.000 0.000 12.782) 12.782 4.115 ( 0.000 0.000 2.347) 2.347 4.552 ( 0.000 0.000 29.071) 29.071 4.749 ( 0.000 0.000 7.357) 7.357 4.793 ( 0.000 0.000 3.718) 3.718 4.822 ( 0.000 0.000 7.674) 7.674 4.944 ( 0.000 0.000 -10.241) 10.241 4.952 ( 0.000 0.000 -3.992) 3.992 5.102 ( 0.000 0.000 11.543) 11.543 5.261 ( 0.000 0.000 -2.648) 2.648 5.318 ( 0.000 0.000 -3.091) 3.091 5.421 ( 0.000 0.000 -9.310) 9.310 5.720 ( 0.000 0.000 17.824) 17.824 5.740 ( 0.000 0.000 15.080) 15.080 5.865 ( 0.000 0.000 29.407) 29.407 6.008 ( 0.000 0.000 -6.640) 6.640 6.009 ( 0.000 0.000 -2.338) 2.338 6.015 ( 0.000 0.000 -0.672) 0.672 6.120 ( 0.000 0.000 -2.369) 2.369 6.196 ( 0.000 0.000 4.949) 4.949 6.259 ( 0.000 0.000 -6.483) 6.483 6.261 ( 0.000 0.000 10.980) 10.980 6.390 ( 0.000 0.000 3.001) 3.001 6.425 ( 0.000 0.000 -13.261) 13.261 6.465 ( 0.000 0.000 -2.871) 2.871 6.518 ( 0.000 0.000 1.914) 1.914 6.609 ( 0.000 0.000 -18.387) 18.387 6.732 ( 0.000 0.000 -11.950) 11.950 6.790 ( 0.000 0.000 6.393) 6.393 6.827 ( 0.000 0.000 4.774) 4.774 6.853 ( 0.000 0.000 6.326) 6.326 6.906 ( 0.000 0.000 -5.871) 5.871 6.953 ( 0.000 0.000 2.943) 2.943 7.028 ( 0.000 0.000 3.046) 3.046 7.069 ( 0.000 0.000 2.346) 2.346 7.162 ( 0.000 0.000 -9.384) 9.384 7.169 ( 0.000 0.000 0.178) 0.178 7.225 ( 0.000 0.000 -13.099) 13.099 7.281 ( 0.000 0.000 -3.339) 3.339 7.305 ( 0.000 0.000 -3.971) 3.971 7.337 ( 0.000 0.000 2.103) 2.103 7.426 ( 0.000 0.000 -6.032) 6.032 7.475 ( 0.000 0.000 -5.591) 5.591 7.558 ( 0.000 0.000 -14.431) 14.431 7.641 ( 0.000 0.000 -4.152) 4.152 7.719 ( 0.000 0.000 2.473) 2.473 7.761 ( 0.000 0.000 -8.429) 8.429 7.860 ( 0.000 0.000 -4.480) 4.480 7.969 ( 0.000 0.000 7.090) 7.090 7.979 ( 0.000 0.000 7.020) 7.020 8.113 ( 0.000 0.000 4.540) 4.540 8.132 ( 0.000 0.000 -9.187) 9.187 8.145 ( 0.000 0.000 -0.017) 0.017 8.168 ( 0.000 0.000 -7.329) 7.329 8.442 ( 0.000 0.000 1.702) 1.702 8.495 ( 0.000 0.000 -2.692) 2.692 8.542 ( 0.000 0.000 7.238) 7.238 8.637 ( 0.000 0.000 -0.197) 0.197 8.682 ( 0.000 0.000 7.924) 7.924 8.761 ( 0.000 0.000 2.872) 2.872 8.789 ( 0.000 0.000 0.520) 0.520 8.795 ( 0.000 0.000 -4.953) 4.953 8.947 ( 0.000 0.000 8.076) 8.076 9.053 ( 0.000 0.000 4.369) 4.369 9.080 ( 0.000 0.000 4.460) 4.460 9.119 ( 0.000 0.000 -6.561) 6.561 9.230 ( 0.000 0.000 -3.229) 3.229 9.252 ( 0.000 0.000 -2.946) 2.946 9.268 ( 0.000 0.000 -1.431) 1.431 9.298 ( 0.000 0.000 -2.189) 2.189 9.341 ( 0.000 0.000 1.154) 1.154 9.408 ( 0.000 0.000 -3.867) 3.867 9.465 ( 0.000 0.000 -1.266) 1.266 9.489 ( 0.000 0.000 -3.458) 3.458 9.501 ( 0.000 0.000 8.718) 8.718 9.564 ( 0.000 0.000 1.665) 1.665 9.804 ( 0.000 0.000 2.209) 2.209 9.850 ( 0.000 0.000 3.739) 3.739 9.966 ( 0.000 0.000 3.114) 3.114 9.980 ( 0.000 0.000 3.351) 3.351 10.027 ( 0.000 0.000 1.279) 1.279 10.040 ( 0.000 0.000 -1.375) 1.375 10.108 ( 0.000 0.000 3.741) 3.741 10.182 ( 0.000 0.000 -1.461) 1.461 10.230 ( 0.000 0.000 -4.442) 4.442 10.319 ( 0.000 0.000 -9.409) 9.409 10.615 ( 0.000 0.000 3.343) 3.343 10.654 ( 0.000 0.000 -0.078) 0.078 10.664 ( 0.000 0.000 11.929) 11.929 10.834 ( 0.000 0.000 -0.307) 0.307 10.851 ( 0.000 0.000 8.447) 8.447 10.949 ( 0.000 0.000 -1.466) 1.466 10.987 ( 0.000 0.000 11.244) 11.244 10.996 ( 0.000 0.000 14.958) 14.958 11.075 ( 0.000 0.000 10.377) 10.377 11.131 ( 0.000 0.000 -1.628) 1.628 11.147 ( 0.000 0.000 3.949) 3.949 11.180 ( 0.000 0.000 -2.307) 2.307 11.231 ( 0.000 0.000 0.039) 0.039 11.262 ( 0.000 0.000 -1.041) 1.041 11.387 ( 0.000 0.000 -6.576) 6.576 11.394 ( 0.000 0.000 3.917) 3.917 11.429 ( 0.000 0.000 -12.329) 12.329 11.499 ( 0.000 0.000 6.766) 6.766 11.713 ( 0.000 0.000 6.057) 6.057 11.823 ( 0.000 0.000 -1.594) 1.594 11.848 ( 0.000 0.000 -7.086) 7.086 11.873 ( 0.000 0.000 0.729) 0.729 11.885 ( 0.000 0.000 -1.830) 1.830 11.899 ( 0.000 0.000 -3.593) 3.593 12.022 ( 0.000 0.000 1.697) 1.697 12.108 ( 0.000 0.000 -6.476) 6.476 12.108 ( 0.000 0.000 4.772) 4.772 12.205 ( 0.000 0.000 -5.513) 5.513 12.334 ( 0.000 0.000 3.144) 3.144 12.367 ( 0.000 0.000 0.512) 0.512 12.371 ( 0.000 0.000 -3.275) 3.275 12.396 ( 0.000 0.000 -2.727) 2.727 12.508 ( 0.000 0.000 1.080) 1.080 12.517 ( 0.000 0.000 0.526) 0.526 12.553 ( 0.000 0.000 2.601) 2.601 12.621 ( 0.000 0.000 -3.875) 3.875 12.709 ( 0.000 0.000 -1.125) 1.125 12.724 ( 0.000 0.000 -3.488) 3.488 12.866 ( 0.000 0.000 -5.424) 5.424 12.878 ( 0.000 0.000 -3.950) 3.950 13.027 ( 0.000 0.000 0.187) 0.187 13.030 ( 0.000 0.000 0.530) 0.530 13.072 ( 0.000 0.000 6.068) 6.068 13.211 ( 0.000 0.000 -6.166) 6.166 13.239 ( 0.000 0.000 -0.113) 0.113 13.267 ( 0.000 0.000 -0.649) 0.649 13.316 ( 0.000 0.000 0.522) 0.522 13.458 ( 0.000 0.000 -10.180) 10.180 13.509 ( 0.000 0.000 2.701) 2.701 13.512 ( 0.000 0.000 0.669) 0.669 13.705 ( 0.000 0.000 -6.887) 6.887 13.757 ( 0.000 0.000 -12.438) 12.438 13.874 ( 0.000 0.000 -0.298) 0.298 13.903 ( 0.000 0.000 -2.351) 2.351 14.486 ( 0.000 0.000 0.645) 0.645 14.555 ( 0.000 0.000 -5.825) 5.825 15.019 ( 0.000 0.000 2.299) 2.299 15.109 ( 0.000 0.000 -7.925) 7.925 17.066 ( 0.000 0.000 4.454) 4.454 17.123 ( 0.000 0.000 -1.192) 1.192 17.172 ( 0.000 0.000 4.098) 4.098 17.229 ( 0.000 0.000 -1.540) 1.540 17.402 ( 0.000 0.000 1.015) 1.015 17.406 ( 0.000 0.000 0.748) 0.748 17.499 ( 0.000 0.000 1.910) 1.910 17.531 ( 0.000 0.000 -1.297) 1.297 17.595 ( 0.000 0.000 3.172) 3.172 17.642 ( 0.000 0.000 -1.375) 1.375 17.903 ( 0.000 0.000 3.600) 3.600 17.967 ( 0.000 0.000 -2.850) 2.850 18.499 ( 0.000 0.000 -0.486) 0.486 18.521 ( 0.000 0.000 -2.784) 2.784 18.602 ( 0.000 0.000 -0.346) 0.346 18.639 ( 0.000 0.000 -3.875) 3.875 18.936 ( 0.000 0.000 -2.096) 2.096 18.966 ( 0.000 0.000 -4.989) 4.989 19.185 ( 0.000 0.000 -2.771) 2.771 19.192 ( 0.000 0.000 -3.474) 3.474 19.236 ( 0.000 0.000 1.922) 1.922 19.300 ( 0.000 0.000 -4.029) 4.029 19.613 ( 0.000 0.000 3.606) 3.606 19.715 ( 0.000 0.000 -5.998) 5.998 20.760 ( 0.000 0.000 0.374) 0.374 20.762 ( 0.000 0.000 0.239) 0.239 21.149 ( 0.000 0.000 4.523) 4.523 21.224 ( 0.000 0.000 -2.893) 2.893 21.512 ( 0.000 0.000 2.277) 2.277 21.557 ( 0.000 0.000 -2.238) 2.238 21.747 ( 0.000 0.000 -0.076) 0.076 21.752 ( 0.000 0.000 -0.660) 0.660 21.795 ( 0.000 0.000 1.349) 1.349 21.839 ( 0.000 0.000 -2.882) 2.882 22.195 ( 0.000 0.000 -0.965) 0.965 22.203 ( 0.000 0.000 -1.849) 1.849 26.610 ( 0.000 0.000 0.748) 0.748 26.613 ( 0.000 0.000 0.434) 0.434 26.650 ( 0.000 0.000 0.842) 0.842 26.654 ( 0.000 0.000 0.454) 0.454 26.912 ( 0.000 0.000 0.330) 0.330 26.917 ( 0.000 0.000 -0.313) 0.313 26.936 ( 0.000 0.000 0.181) 0.181 26.937 ( 0.000 0.000 -0.016) 0.016 27.567 ( 0.000 0.000 0.724) 0.724 27.574 ( 0.000 0.000 0.049) 0.049 27.632 ( 0.000 0.000 0.409) 0.409 27.636 ( 0.000 0.000 0.074) 0.074 35.029 ( 0.000 0.000 5.500) 5.500 35.139 ( 0.000 0.000 -5.504) 5.504 35.370 ( 0.000 0.000 2.758) 2.758 35.446 ( 0.000 0.000 -4.713) 4.713 35.722 ( 0.000 0.000 5.428) 5.428 35.758 ( 0.000 0.000 1.556) 1.556 36.052 ( 0.000 0.000 8.580) 8.580 36.257 ( 0.000 0.000 -11.878) 11.878 36.827 ( 0.000 0.000 2.543) 2.543 36.890 ( 0.000 0.000 -3.085) 3.085 36.905 ( 0.000 0.000 1.165) 1.165 37.020 ( 0.000 0.000 -10.762) 10.762 38.393 ( 0.000 0.000 4.565) 4.565 38.432 ( 0.000 0.000 0.658) 0.658 38.451 ( 0.000 0.000 4.004) 4.004 38.480 ( 0.000 0.000 1.137) 1.137 39.592 ( 0.000 0.000 5.716) 5.716 39.597 ( 0.000 0.000 5.165) 5.165 40.270 ( 0.000 0.000 11.445) 11.445 40.390 ( 0.000 0.000 -0.586) 0.586 40.410 ( 0.000 0.000 6.528) 6.528 40.453 ( 0.000 0.000 2.406) 2.406 41.120 ( 0.000 0.000 15.562) 15.562 41.381 ( 0.000 0.000 -10.626) 10.626 ======================= Grid point 76 (32/36) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.180 ( 13.865 0.000 11.188) 17.816 4.243 ( 12.148 0.000 2.826) 12.473 4.587 ( 3.309 0.000 26.233) 26.441 4.750 ( -0.284 0.000 7.824) 7.829 4.768 ( -1.802 0.000 3.866) 4.265 4.806 ( -1.729 0.000 7.346) 7.547 4.893 ( -5.023 0.000 -2.832) 5.766 4.938 ( -1.214 0.000 -8.953) 9.035 5.143 ( 4.094 0.000 9.413) 10.264 5.257 ( -0.338 0.000 -0.499) 0.603 5.343 ( 2.302 0.000 0.388) 2.335 5.452 ( 3.247 0.000 -4.353) 5.430 5.625 ( -9.421 0.000 11.895) 15.173 5.656 ( -5.626 0.000 11.653) 12.940 5.840 ( -1.111 0.000 17.239) 17.275 5.928 ( -4.107 0.000 -2.885) 5.019 6.016 ( -0.949 0.000 -2.053) 2.262 6.095 ( 4.002 0.000 0.643) 4.053 6.113 ( -13.101 0.000 4.353) 13.805 6.156 ( 2.467 0.000 -1.313) 2.795 6.225 ( 3.298 0.000 6.566) 7.347 6.286 ( -4.347 0.000 5.468) 6.985 6.322 ( -2.754 0.000 -0.309) 2.771 6.388 ( 0.136 0.000 5.452) 5.454 6.481 ( -3.581 0.000 -2.931) 4.627 6.488 ( -1.805 0.000 -8.024) 8.224 6.552 ( -5.980 0.000 -9.732) 11.422 6.566 ( -9.435 0.000 0.794) 9.469 6.683 ( -11.486 0.000 -9.889) 15.157 6.708 ( -4.331 0.000 6.742) 8.013 6.833 ( -10.354 0.000 -13.941) 17.366 6.865 ( -1.278 0.000 -1.566) 2.021 6.972 ( -1.322 0.000 -6.933) 7.058 7.024 ( 3.529 0.000 -3.412) 4.908 7.030 ( 2.765 0.000 5.448) 6.110 7.052 ( -11.257 0.000 -14.501) 18.358 7.174 ( 5.358 0.000 -9.118) 10.575 7.229 ( 0.243 0.000 -14.422) 14.424 7.338 ( 9.253 0.000 7.446) 11.877 7.353 ( 6.351 0.000 5.470) 8.381 7.473 ( 4.605 0.000 -0.198) 4.609 7.476 ( 4.966 0.000 -1.634) 5.227 7.559 ( -2.173 0.000 -0.404) 2.210 7.650 ( 9.028 0.000 -0.737) 9.058 7.718 ( 2.425 0.000 -8.430) 8.772 7.729 ( 7.138 0.000 -5.988) 9.317 7.812 ( 4.205 0.000 2.750) 5.024 7.925 ( 0.027 0.000 -3.797) 3.797 7.938 ( -0.857 0.000 8.619) 8.661 8.056 ( 7.359 0.000 3.109) 7.989 8.114 ( -0.402 0.000 2.755) 2.784 8.174 ( 3.951 0.000 -2.140) 4.493 8.202 ( 6.413 0.000 -6.521) 9.146 8.247 ( 7.087 0.000 -7.490) 10.312 8.322 ( -8.594 0.000 -2.420) 8.928 8.330 ( -4.302 0.000 -2.060) 4.770 8.645 ( -5.282 0.000 6.706) 8.537 8.654 ( -2.873 0.000 6.474) 7.083 8.715 ( 0.324 0.000 0.580) 0.665 8.773 ( -2.261 0.000 -6.312) 6.705 8.774 ( 4.486 0.000 7.377) 8.634 8.835 ( 3.846 0.000 1.936) 4.305 8.887 ( -4.803 0.000 8.675) 9.916 9.041 ( 4.296 0.000 0.534) 4.329 9.071 ( -6.981 0.000 -8.436) 10.950 9.101 ( 4.050 0.000 -3.120) 5.113 9.114 ( -4.939 0.000 1.025) 5.044 9.178 ( -3.437 0.000 -4.549) 5.701 9.342 ( 10.657 0.000 9.767) 14.456 9.389 ( 0.234 0.000 0.448) 0.505 9.394 ( -0.476 0.000 -0.886) 1.006 9.398 ( 1.815 0.000 3.148) 3.634 9.502 ( 3.302 0.000 -3.459) 4.782 9.544 ( 6.338 0.000 0.488) 6.357 9.549 ( -3.710 0.000 -3.748) 5.274 9.597 ( 7.302 0.000 -4.967) 8.831 9.780 ( -0.931 0.000 4.854) 4.943 9.861 ( 1.322 0.000 2.609) 2.925 9.928 ( -1.902 0.000 6.074) 6.365 9.941 ( -1.946 0.000 9.999) 10.187 10.063 ( -2.506 0.000 -6.426) 6.897 10.091 ( 0.757 0.000 3.355) 3.439 10.133 ( 4.406 0.000 -0.502) 4.434 10.188 ( 6.000 0.000 4.558) 7.535 10.278 ( -4.699 0.000 -10.020) 11.067 10.292 ( 4.300 0.000 -5.428) 6.925 10.629 ( -0.303 0.000 2.491) 2.509 10.633 ( -1.577 0.000 10.540) 10.657 10.654 ( -1.268 0.000 0.180) 1.281 10.783 ( -4.006 0.000 -2.105) 4.526 10.793 ( -2.620 0.000 8.596) 8.986 10.921 ( -2.366 0.000 -4.250) 4.864 10.931 ( -5.262 0.000 7.919) 9.508 11.021 ( -7.462 0.000 1.434) 7.599 11.060 ( 4.973 0.000 12.230) 13.203 11.119 ( 2.868 0.000 8.050) 8.546 11.176 ( 2.768 0.000 1.739) 3.269 11.230 ( 2.978 0.000 -0.633) 3.045 11.232 ( 0.439 0.000 0.801) 0.914 11.313 ( 4.804 0.000 -1.304) 4.978 11.365 ( -1.882 0.000 10.357) 10.527 11.366 ( -0.833 0.000 -0.526) 0.986 11.494 ( 4.192 0.000 -10.840) 11.622 11.534 ( 1.648 0.000 7.274) 7.458 11.764 ( -5.224 0.000 -6.052) 7.995 11.779 ( 5.430 0.000 5.348) 7.621 11.862 ( 3.125 0.000 0.069) 3.126 11.886 ( -2.372 0.000 -9.425) 9.718 11.897 ( 2.016 0.000 0.937) 2.223 11.931 ( 2.454 0.000 -3.746) 4.478 11.995 ( -2.180 0.000 1.954) 2.927 12.067 ( -2.799 0.000 4.871) 5.618 12.075 ( -2.105 0.000 -6.878) 7.193 12.154 ( -4.115 0.000 -5.756) 7.076 12.362 ( 0.655 0.000 -2.708) 2.786 12.369 ( 1.998 0.000 2.841) 3.473 12.391 ( 2.069 0.000 -0.282) 2.089 12.399 ( 0.930 0.000 -3.938) 4.046 12.539 ( 3.079 0.000 4.386) 5.358 12.552 ( 0.237 0.000 3.160) 3.169 12.579 ( 5.008 0.000 0.239) 5.013 12.640 ( 1.790 0.000 -5.185) 5.486 12.702 ( -0.439 0.000 -1.031) 1.121 12.724 ( -0.231 0.000 -2.777) 2.786 12.863 ( 0.274 0.000 -3.183) 3.195 12.904 ( 2.188 0.000 -6.410) 6.773 12.907 ( -9.408 0.000 2.991) 9.872 12.970 ( -5.497 0.000 -0.122) 5.499 12.997 ( -6.961 0.000 0.521) 6.980 13.149 ( -6.514 0.000 -10.304) 12.190 13.159 ( -6.538 0.000 1.719) 6.760 13.226 ( -4.002 0.000 -2.464) 4.700 13.424 ( 8.279 0.000 1.314) 8.382 13.510 ( 0.981 0.000 1.386) 1.698 13.511 ( 4.863 0.000 -6.312) 7.967 13.567 ( 3.396 0.000 -1.473) 3.702 13.702 ( -0.531 0.000 -6.250) 6.273 13.725 ( -2.709 0.000 -10.276) 10.627 13.852 ( -2.014 0.000 0.504) 2.076 13.896 ( -1.086 0.000 -3.194) 3.374 14.528 ( 3.855 0.000 0.132) 3.857 14.572 ( 1.705 0.000 -4.107) 4.447 14.970 ( -4.416 0.000 1.717) 4.738 15.045 ( -5.803 0.000 -6.635) 8.815 17.079 ( 1.176 0.000 3.986) 4.156 17.126 ( 0.173 0.000 -0.639) 0.662 17.206 ( 2.970 0.000 3.641) 4.699 17.256 ( 2.173 0.000 -1.341) 2.554 17.410 ( 0.680 0.000 1.259) 1.431 17.418 ( 0.896 0.000 0.474) 1.014 17.502 ( 0.347 0.000 1.451) 1.492 17.530 ( -0.162 0.000 -1.267) 1.278 17.611 ( 1.536 0.000 2.482) 2.919 17.647 ( 0.513 0.000 -1.000) 1.124 17.885 ( -1.642 0.000 3.221) 3.616 17.940 ( -2.543 0.000 -2.357) 3.467 18.506 ( 0.702 0.000 -0.553) 0.894 18.526 ( 0.432 0.000 -2.641) 2.676 18.614 ( 1.032 0.000 -0.575) 1.182 18.644 ( 0.382 0.000 -3.470) 3.491 18.953 ( 1.682 0.000 -1.921) 2.554 18.985 ( 1.732 0.000 -5.036) 5.325 19.166 ( -1.822 0.000 -2.561) 3.143 19.177 ( -1.498 0.000 -3.673) 3.967 19.237 ( 0.111 0.000 1.416) 1.420 19.288 ( -1.086 0.000 -3.375) 3.546 19.618 ( 0.502 0.000 3.080) 3.121 19.699 ( -1.428 0.000 -4.535) 4.754 20.761 ( 0.137 0.000 0.367) 0.392 20.764 ( 0.154 0.000 0.132) 0.203 21.154 ( 0.453 0.000 3.734) 3.761 21.213 ( -1.049 0.000 -2.151) 2.394 21.522 ( 1.067 0.000 1.980) 2.249 21.568 ( 0.740 0.000 -2.715) 2.814 21.747 ( 0.034 0.000 -0.144) 0.148 21.752 ( -0.062 0.000 -0.629) 0.632 21.812 ( 1.770 0.000 1.224) 2.152 21.854 ( 1.352 0.000 -2.808) 3.117 22.168 ( -2.514 0.000 -0.981) 2.699 22.174 ( -2.606 0.000 -1.727) 3.127 26.609 ( -0.098 0.000 0.726) 0.732 26.612 ( -0.119 0.000 0.403) 0.421 26.650 ( -0.012 0.000 0.806) 0.806 26.653 ( -0.094 0.000 0.496) 0.505 26.913 ( 0.158 0.000 0.287) 0.327 26.919 ( 0.093 0.000 -0.297) 0.311 26.938 ( 0.153 0.000 0.148) 0.213 26.939 ( 0.133 0.000 -0.019) 0.135 27.572 ( 0.481 0.000 0.717) 0.863 27.579 ( 0.468 0.000 0.039) 0.470 27.625 ( -0.631 0.000 0.378) 0.735 27.628 ( -0.696 0.000 0.135) 0.709 35.081 ( 4.971 0.000 5.332) 7.290 35.182 ( 3.896 0.000 -4.649) 6.066 35.424 ( 5.195 0.000 3.377) 6.197 35.512 ( 5.988 0.000 -5.236) 7.955 35.678 ( -4.054 0.000 5.191) 6.587 35.721 ( -3.604 0.000 0.823) 3.696 36.004 ( -4.355 0.000 7.630) 8.786 36.193 ( -6.112 0.000 -11.180) 12.742 36.833 ( 0.582 0.000 2.352) 2.423 36.880 ( -0.696 0.000 -0.482) 0.847 36.919 ( 1.113 0.000 -1.929) 2.227 37.008 ( -1.161 0.000 -9.832) 9.901 38.404 ( 1.049 0.000 4.215) 4.344 38.436 ( 0.338 0.000 1.028) 1.082 38.452 ( 0.086 0.000 3.752) 3.753 38.475 ( -0.442 0.000 1.413) 1.480 39.590 ( -0.081 0.000 5.722) 5.723 39.597 ( -0.049 0.000 5.040) 5.041 40.278 ( 0.806 0.000 10.330) 10.362 40.375 ( -1.434 0.000 0.605) 1.557 40.406 ( -0.273 0.000 6.300) 6.306 40.442 ( -1.055 0.000 2.876) 3.064 41.132 ( 1.280 0.000 13.304) 13.366 41.343 ( -3.572 0.000 -7.858) 8.632 ======================= Grid point 77 (33/36) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.491 ( 14.447 0.000 7.368) 16.218 4.552 ( 16.800 0.000 1.316) 16.851 4.669 ( 4.584 0.000 18.442) 19.003 4.706 ( -4.868 0.000 9.214) 10.421 4.745 ( -1.087 0.000 3.378) 3.548 4.758 ( -1.956 0.000 9.618) 9.815 4.794 ( -4.054 0.000 0.337) 4.068 4.847 ( -9.254 0.000 -3.519) 9.900 5.235 ( 3.680 0.000 4.772) 6.026 5.283 ( 3.567 0.000 3.931) 5.308 5.410 ( 4.969 0.000 7.762) 9.216 5.433 ( -6.113 0.000 10.617) 12.251 5.507 ( -1.224 0.000 2.799) 3.055 5.531 ( -8.101 0.000 4.695) 9.363 5.808 ( 0.203 0.000 12.083) 12.085 5.878 ( 0.822 0.000 4.093) 4.174 5.905 ( -6.132 0.000 -1.462) 6.303 5.971 ( -5.696 0.000 7.589) 9.489 6.120 ( -0.707 0.000 -5.071) 5.120 6.174 ( -3.021 0.000 0.455) 3.055 6.187 ( 2.124 0.000 -8.071) 8.345 6.281 ( 1.444 0.000 8.195) 8.321 6.291 ( 0.467 0.000 -3.046) 3.081 6.360 ( -5.405 0.000 5.109) 7.437 6.367 ( -0.169 0.000 5.559) 5.562 6.390 ( -13.101 0.000 -15.649) 20.410 6.408 ( -0.652 0.000 5.070) 5.112 6.461 ( -4.065 0.000 -5.342) 6.713 6.567 ( 1.880 0.000 -9.684) 9.864 6.644 ( -6.619 0.000 -13.349) 14.900 6.706 ( 2.598 0.000 -0.845) 2.732 6.783 ( -4.794 0.000 -2.112) 5.238 6.934 ( -0.649 0.000 -13.174) 13.190 6.951 ( -1.641 0.000 -15.518) 15.605 7.126 ( 5.168 0.000 -0.590) 5.202 7.164 ( 8.481 0.000 4.824) 9.758 7.206 ( -2.617 0.000 -6.422) 6.935 7.298 ( 0.871 0.000 -6.301) 6.361 7.346 ( 0.724 0.000 4.271) 4.332 7.471 ( -6.031 0.000 -6.431) 8.816 7.541 ( 8.917 0.000 0.097) 8.918 7.574 ( 5.758 0.000 -3.030) 6.507 7.650 ( 10.731 0.000 10.864) 15.270 7.710 ( -4.452 0.000 0.541) 4.485 7.733 ( -2.957 0.000 -1.850) 3.488 7.806 ( -1.386 0.000 6.562) 6.706 7.875 ( 4.236 0.000 4.601) 6.255 7.960 ( -1.079 0.000 -6.478) 6.567 8.031 ( 9.859 0.000 9.731) 13.853 8.050 ( 4.434 0.000 -3.946) 5.936 8.170 ( -2.526 0.000 -5.878) 6.398 8.185 ( -0.087 0.000 1.629) 1.631 8.210 ( -7.414 0.000 -4.751) 8.806 8.272 ( -4.466 0.000 -11.037) 11.906 8.314 ( 1.747 0.000 -4.991) 5.288 8.352 ( 2.694 0.000 -4.050) 4.865 8.592 ( 1.722 0.000 4.488) 4.807 8.634 ( 3.961 0.000 4.668) 6.123 8.635 ( -2.447 0.000 0.700) 2.545 8.732 ( -1.719 0.000 -0.223) 1.734 8.836 ( 1.258 0.000 -2.014) 2.375 8.855 ( 1.732 0.000 10.088) 10.236 8.863 ( 0.444 0.000 9.285) 9.296 8.939 ( -6.482 0.000 -7.827) 10.163 9.030 ( -2.552 0.000 3.539) 4.363 9.075 ( -5.858 0.000 0.021) 5.858 9.173 ( 5.964 0.000 2.890) 6.627 9.222 ( 2.237 0.000 1.079) 2.483 9.394 ( 0.896 0.000 -2.129) 2.310 9.395 ( 0.550 0.000 -4.239) 4.275 9.402 ( 0.263 0.000 -1.800) 1.819 9.446 ( -4.062 0.000 -6.457) 7.629 9.567 ( 9.134 0.000 5.489) 10.657 9.628 ( 5.601 0.000 2.172) 6.008 9.659 ( 4.556 0.000 0.371) 4.571 9.695 ( 1.689 0.000 -3.216) 3.633 9.797 ( 3.867 0.000 3.947) 5.525 9.852 ( -1.547 0.000 -1.728) 2.320 9.900 ( -1.279 0.000 8.936) 9.027 9.924 ( 1.465 0.000 4.966) 5.177 9.983 ( -4.114 0.000 0.047) 4.114 10.054 ( -12.101 0.000 -3.280) 12.538 10.156 ( 5.383 0.000 6.846) 8.709 10.231 ( -0.677 0.000 1.746) 1.873 10.361 ( 9.746 0.000 0.121) 9.746 10.400 ( 6.638 0.000 -3.130) 7.339 10.542 ( -7.306 0.000 0.722) 7.342 10.559 ( -7.672 0.000 -0.781) 7.711 10.643 ( 2.311 0.000 4.752) 5.284 10.708 ( -3.741 0.000 2.348) 4.417 10.816 ( -2.546 0.000 -2.776) 3.766 10.820 ( 3.779 0.000 4.829) 6.131 10.876 ( -6.565 0.000 -3.493) 7.436 10.884 ( -2.031 0.000 -0.885) 2.215 11.161 ( 2.279 0.000 2.471) 3.361 11.182 ( 5.988 0.000 8.356) 10.279 11.220 ( -2.700 0.000 -2.097) 3.418 11.243 ( 2.818 0.000 7.520) 8.031 11.264 ( 0.479 0.000 -0.453) 0.659 11.339 ( -2.865 0.000 7.915) 8.418 11.380 ( 4.216 0.000 18.262) 18.742 11.439 ( 7.422 0.000 -4.122) 8.490 11.491 ( -5.620 0.000 14.671) 15.710 11.541 ( -1.126 0.000 -8.958) 9.029 11.738 ( 2.666 0.000 -11.893) 12.188 11.815 ( -4.280 0.000 -11.767) 12.521 11.846 ( 1.066 0.000 3.341) 3.507 11.892 ( -2.730 0.000 1.325) 3.034 11.926 ( 3.509 0.000 2.548) 4.336 11.969 ( 0.074 0.000 -0.675) 0.679 11.978 ( 2.599 0.000 1.888) 3.213 12.035 ( 0.073 0.000 0.397) 0.404 12.040 ( -2.622 0.000 -2.652) 3.729 12.073 ( -3.463 0.000 -4.350) 5.560 12.403 ( 1.411 0.000 1.986) 2.436 12.416 ( 0.223 0.000 -0.004) 0.223 12.438 ( 5.317 0.000 -3.121) 6.165 12.473 ( 6.318 0.000 -6.858) 9.325 12.569 ( 1.419 0.000 1.758) 2.259 12.620 ( 4.180 0.000 4.378) 6.053 12.658 ( 2.066 0.000 1.995) 2.872 12.664 ( -0.438 0.000 -4.504) 4.525 12.696 ( -0.437 0.000 0.142) 0.459 12.702 ( -1.837 0.000 0.148) 1.843 12.747 ( -6.027 0.000 -1.164) 6.139 12.799 ( -10.085 0.000 -2.555) 10.403 12.882 ( -0.306 0.000 -2.695) 2.712 12.892 ( 2.871 0.000 -1.770) 3.373 12.949 ( 0.162 0.000 -5.165) 5.167 12.991 ( -8.337 0.000 -10.234) 13.200 13.048 ( -1.485 0.000 -0.757) 1.667 13.124 ( -5.747 0.000 -5.034) 7.640 13.545 ( 2.544 0.000 -2.353) 3.465 13.574 ( 5.770 0.000 0.134) 5.772 13.599 ( -1.547 0.000 -6.789) 6.963 13.609 ( 3.067 0.000 -3.197) 4.430 13.675 ( 0.097 0.000 -3.031) 3.032 13.695 ( -1.018 0.000 -4.633) 4.744 13.813 ( -0.786 0.000 0.290) 0.838 13.850 ( -3.217 0.000 -3.147) 4.501 14.613 ( 3.474 0.000 -0.112) 3.476 14.619 ( 2.441 0.000 -0.765) 2.558 14.882 ( -2.822 0.000 -0.604) 2.886 14.917 ( -5.747 0.000 -4.240) 7.142 17.106 ( 1.300 0.000 2.681) 2.980 17.124 ( -0.466 0.000 0.875) 0.991 17.266 ( 2.496 0.000 2.180) 3.314 17.288 ( 0.478 0.000 0.038) 0.480 17.424 ( 0.627 0.000 1.035) 1.210 17.430 ( 0.141 0.000 0.459) 0.480 17.512 ( 0.615 0.000 0.166) 0.637 17.524 ( -0.482 0.000 -0.959) 1.074 17.648 ( 1.733 0.000 1.219) 2.119 17.661 ( 0.508 0.000 -0.063) 0.512 17.856 ( -0.550 0.000 1.776) 1.859 17.881 ( -2.805 0.000 -0.767) 2.908 18.523 ( 0.801 0.000 -1.078) 1.343 18.532 ( -0.044 0.000 -2.006) 2.007 18.636 ( 0.998 0.000 -1.323) 1.657 18.648 ( -0.126 0.000 -2.453) 2.456 18.997 ( 2.469 0.000 -2.206) 3.311 19.019 ( 0.964 0.000 -4.339) 4.445 19.126 ( -1.398 0.000 -2.581) 2.935 19.138 ( -2.023 0.000 -3.795) 4.301 19.243 ( 0.653 0.000 0.044) 0.654 19.263 ( -1.266 0.000 -1.773) 2.179 19.635 ( 1.219 0.000 1.435) 1.883 19.665 ( -1.778 0.000 -1.371) 2.246 20.764 ( 0.153 0.000 0.228) 0.275 20.766 ( 0.024 0.000 0.092) 0.095 21.167 ( 0.871 0.000 1.793) 1.993 21.188 ( -1.258 0.000 -0.378) 1.314 21.551 ( 1.581 0.000 0.327) 1.615 21.573 ( -0.462 0.000 -1.900) 1.955 21.748 ( 0.081 0.000 -0.319) 0.329 21.750 ( -0.099 0.000 -0.512) 0.522 21.858 ( 2.397 0.000 -0.015) 2.397 21.879 ( 0.585 0.000 -2.017) 2.100 22.115 ( -1.954 0.000 -1.043) 2.215 22.119 ( -2.242 0.000 -1.465) 2.678 26.607 ( 0.008 0.000 0.602) 0.603 26.609 ( -0.141 0.000 0.448) 0.469 26.650 ( 0.030 0.000 0.715) 0.716 26.651 ( -0.095 0.000 0.598) 0.606 26.917 ( 0.190 0.000 0.098) 0.214 26.920 ( -0.036 0.000 -0.158) 0.162 26.941 ( 0.116 0.000 0.069) 0.135 26.941 ( 0.063 0.000 0.001) 0.063 27.586 ( 0.858 0.000 0.636) 1.068 27.591 ( 0.673 0.000 0.093) 0.680 27.609 ( -0.901 0.000 0.427) 0.997 27.612 ( -0.865 0.000 0.132) 0.875 35.201 ( 5.965 0.000 4.140) 7.261 35.254 ( 1.611 0.000 -0.915) 1.853 35.556 ( 7.106 0.000 3.733) 8.027 35.598 ( -2.283 0.000 2.994) 3.765 35.626 ( 2.552 0.000 -2.340) 3.462 35.631 ( -4.555 0.000 0.002) 4.555 35.929 ( -0.498 0.000 1.385) 1.472 36.036 ( -8.719 0.000 -8.439) 12.134 36.848 ( 0.864 0.000 1.815) 2.010 36.865 ( -0.832 0.000 0.959) 1.269 36.946 ( 1.533 0.000 -4.736) 4.978 36.978 ( -1.657 0.000 -7.511) 7.691 38.427 ( 1.037 0.000 3.255) 3.416 38.439 ( -0.160 0.000 2.021) 2.027 38.456 ( 0.332 0.000 3.053) 3.071 38.465 ( -0.552 0.000 2.148) 2.218 39.590 ( 0.117 0.000 5.471) 5.472 39.594 ( -0.213 0.000 5.094) 5.099 40.302 ( 1.613 0.000 7.384) 7.558 40.339 ( -2.001 0.000 3.674) 4.184 40.405 ( 0.252 0.000 5.486) 5.492 40.418 ( -1.086 0.000 4.129) 4.270 41.176 ( 3.214 0.000 7.141) 7.831 41.256 ( -4.615 0.000 -0.923) 4.706 ======================= Grid point 80 (34/36) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 0.000 0.728 10.074) 10.101 4.074 ( 0.000 -2.547 5.226) 5.814 4.661 ( 0.000 4.765 21.144) 21.674 4.702 ( 0.000 -1.645 8.832) 8.984 4.814 ( 0.000 3.170 7.398) 8.049 4.879 ( 0.000 2.521 7.012) 7.452 5.034 ( 0.000 5.247 -3.245) 6.169 5.052 ( 0.000 5.977 -2.301) 6.404 5.125 ( 0.000 1.040 2.499) 2.706 5.150 ( 0.000 -5.307 -2.351) 5.804 5.387 ( 0.000 5.221 3.345) 6.200 5.505 ( 0.000 0.023 2.845) 2.845 5.685 ( 0.000 -0.963 19.931) 19.955 5.704 ( 0.000 -0.764 15.968) 15.986 5.808 ( 0.000 -4.432 -3.717) 5.785 5.907 ( 0.000 0.918 8.998) 9.044 5.985 ( 0.000 -8.946 -11.232) 14.359 5.991 ( 0.000 -3.690 -4.209) 5.597 6.119 ( 0.000 5.649 1.739) 5.910 6.247 ( 0.000 0.954 5.436) 5.520 6.290 ( 0.000 2.867 3.699) 4.680 6.348 ( 0.000 -5.986 -9.743) 11.435 6.403 ( 0.000 6.039 3.525) 6.993 6.423 ( 0.000 2.299 0.288) 2.317 6.474 ( 0.000 0.847 1.698) 1.897 6.504 ( 0.000 -2.586 0.904) 2.740 6.626 ( 0.000 0.917 -2.800) 2.947 6.692 ( 0.000 -3.745 -1.541) 4.049 6.742 ( 0.000 3.368 3.369) 4.764 6.776 ( 0.000 -0.733 -2.521) 2.626 6.808 ( 0.000 -2.568 -3.939) 4.702 6.863 ( 0.000 -5.274 -1.727) 5.550 6.878 ( 0.000 4.161 -5.802) 7.140 6.915 ( 0.000 -8.823 3.710) 9.572 6.964 ( 0.000 -8.747 -7.923) 11.802 7.018 ( 0.000 -7.150 -8.222) 10.897 7.161 ( 0.000 0.731 -8.102) 8.135 7.171 ( 0.000 -1.148 -2.635) 2.874 7.204 ( 0.000 -2.592 -0.567) 2.653 7.273 ( 0.000 -7.815 -10.086) 12.759 7.340 ( 0.000 -0.824 -4.352) 4.429 7.348 ( 0.000 -1.686 -2.191) 2.765 7.647 ( 0.000 9.496 4.690) 10.591 7.653 ( 0.000 7.095 -4.995) 8.677 7.744 ( 0.000 3.242 -7.833) 8.478 7.744 ( 0.000 1.998 1.192) 2.327 7.885 ( 0.000 0.619 -2.686) 2.757 7.925 ( 0.000 3.191 -6.696) 7.418 7.990 ( 0.000 -0.812 3.682) 3.770 7.991 ( 0.000 2.485 3.404) 4.215 8.167 ( 0.000 5.916 0.032) 5.916 8.184 ( 0.000 1.243 -0.308) 1.280 8.186 ( 0.000 2.093 -2.791) 3.489 8.257 ( 0.000 3.584 -7.401) 8.223 8.360 ( 0.000 -1.401 2.411) 2.789 8.397 ( 0.000 -0.402 -2.922) 2.949 8.472 ( 0.000 -2.472 2.331) 3.397 8.540 ( 0.000 -6.531 -1.480) 6.696 8.726 ( 0.000 -1.532 2.825) 3.214 8.742 ( 0.000 -3.785 1.608) 4.112 8.842 ( 0.000 1.714 -0.300) 1.740 8.862 ( 0.000 -1.485 -2.687) 3.070 8.898 ( 0.000 4.607 7.985) 9.219 8.996 ( 0.000 2.239 -1.996) 3.000 9.093 ( 0.000 -2.322 10.147) 10.409 9.185 ( 0.000 6.682 9.762) 11.830 9.231 ( 0.000 -5.599 -1.258) 5.738 9.280 ( 0.000 1.962 -5.636) 5.967 9.292 ( 0.000 0.118 -5.142) 5.143 9.323 ( 0.000 -3.512 5.328) 6.381 9.353 ( 0.000 -0.998 -2.555) 2.743 9.382 ( 0.000 -0.406 1.856) 1.899 9.450 ( 0.000 1.961 -1.549) 2.500 9.496 ( 0.000 4.105 -4.220) 5.887 9.618 ( 0.000 6.312 4.903) 7.992 9.632 ( 0.000 6.635 1.066) 6.721 9.769 ( 0.000 -3.794 1.770) 4.187 9.828 ( 0.000 -5.543 -1.967) 5.882 9.880 ( 0.000 2.056 2.997) 3.635 9.954 ( 0.000 -1.316 4.686) 4.867 10.014 ( 0.000 3.725 -2.517) 4.496 10.106 ( 0.000 -5.308 -0.216) 5.312 10.184 ( 0.000 4.149 -2.471) 4.828 10.184 ( 0.000 -2.329 -2.745) 3.600 10.195 ( 0.000 3.261 -0.379) 3.283 10.249 ( 0.000 -5.797 -6.449) 8.671 10.627 ( 0.000 0.081 6.351) 6.351 10.657 ( 0.000 3.793 3.138) 4.922 10.724 ( 0.000 -7.135 9.496) 11.878 10.731 ( 0.000 1.986 7.259) 7.526 10.813 ( 0.000 -4.334 -1.145) 4.482 10.837 ( 0.000 -1.335 -1.405) 1.938 10.961 ( 0.000 -1.184 8.238) 8.322 11.000 ( 0.000 -3.324 1.972) 3.865 11.053 ( 0.000 0.197 14.761) 14.763 11.091 ( 0.000 -0.729 10.279) 10.304 11.155 ( 0.000 0.389 5.480) 5.494 11.196 ( 0.000 -2.632 2.810) 3.850 11.296 ( 0.000 6.722 -1.292) 6.845 11.324 ( 0.000 3.474 -1.216) 3.681 11.386 ( 0.000 0.611 -6.912) 6.939 11.397 ( 0.000 -0.775 -7.091) 7.133 11.475 ( 0.000 4.442 -0.667) 4.492 11.614 ( 0.000 1.826 -7.611) 7.827 11.675 ( 0.000 -2.764 7.118) 7.636 11.724 ( 0.000 -0.046 1.481) 1.482 11.743 ( 0.000 -2.522 0.230) 2.533 11.822 ( 0.000 -4.799 0.600) 4.836 11.909 ( 0.000 -4.152 -2.246) 4.720 11.927 ( 0.000 -2.021 -0.273) 2.040 12.015 ( 0.000 -0.538 -6.923) 6.944 12.015 ( 0.000 2.233 -6.219) 6.608 12.238 ( 0.000 2.097 3.272) 3.886 12.256 ( 0.000 4.814 0.972) 4.911 12.312 ( 0.000 -0.589 0.533) 0.794 12.338 ( 0.000 0.757 -2.015) 2.152 12.477 ( 0.000 5.839 1.422) 6.010 12.497 ( 0.000 3.604 0.122) 3.607 12.536 ( 0.000 2.491 0.216) 2.500 12.543 ( 0.000 3.499 -2.096) 4.079 12.574 ( 0.000 -0.576 2.765) 2.824 12.634 ( 0.000 -0.929 -2.977) 3.118 12.708 ( 0.000 0.575 -0.292) 0.645 12.735 ( 0.000 1.754 -3.108) 3.569 12.788 ( 0.000 -6.380 -3.194) 7.134 12.820 ( 0.000 -4.152 -4.199) 5.905 13.021 ( 0.000 0.467 0.611) 0.768 13.032 ( 0.000 -0.051 0.609) 0.611 13.126 ( 0.000 1.664 3.728) 4.082 13.128 ( 0.000 -2.466 0.192) 2.473 13.189 ( 0.000 -0.874 -5.444) 5.514 13.249 ( 0.000 -2.285 -7.169) 7.524 13.383 ( 0.000 3.005 0.865) 3.127 13.459 ( 0.000 -3.554 0.140) 3.557 13.486 ( 0.000 1.405 -7.524) 7.654 13.508 ( 0.000 -0.270 -1.878) 1.898 13.688 ( 0.000 -0.660 -5.325) 5.366 13.709 ( 0.000 -2.672 -8.236) 8.659 13.896 ( 0.000 1.462 -0.891) 1.712 13.913 ( 0.000 0.219 -2.215) 2.226 14.575 ( 0.000 5.558 -3.252) 6.439 14.605 ( 0.000 2.853 -5.639) 6.320 14.968 ( 0.000 -2.615 1.344) 2.940 15.015 ( 0.000 -6.236 -4.209) 7.523 17.095 ( 0.000 2.037 4.157) 4.630 17.131 ( 0.000 -0.541 1.810) 1.889 17.181 ( 0.000 1.362 0.993) 1.686 17.216 ( 0.000 -1.193 -1.257) 1.733 17.414 ( 0.000 0.727 0.697) 1.006 17.416 ( 0.000 0.586 0.601) 0.839 17.494 ( 0.000 -0.119 1.932) 1.935 17.508 ( 0.000 -1.299 0.817) 1.534 17.636 ( 0.000 2.644 1.018) 2.833 17.662 ( 0.000 0.896 -1.260) 1.546 17.865 ( 0.000 -1.739 2.185) 2.793 17.901 ( 0.000 -4.259 -1.411) 4.486 18.535 ( 0.000 1.692 -1.227) 2.090 18.540 ( 0.000 0.962 -1.822) 2.060 18.612 ( 0.000 0.962 -1.253) 1.580 18.634 ( 0.000 -0.574 -3.281) 3.330 18.954 ( 0.000 1.362 -2.424) 2.780 18.972 ( 0.000 0.103 -4.071) 4.072 19.164 ( 0.000 -1.020 -2.460) 2.663 19.166 ( 0.000 -1.044 -2.825) 3.012 19.299 ( 0.000 3.959 0.234) 3.966 19.336 ( 0.000 1.773 -2.896) 3.396 19.554 ( 0.000 -2.831 1.279) 3.106 19.611 ( 0.000 -6.685 -3.924) 7.752 20.870 ( 0.000 8.199 1.853) 8.406 20.902 ( 0.000 9.704 -1.284) 9.789 21.075 ( 0.000 -5.854 3.722) 6.937 21.143 ( 0.000 -7.257 -2.964) 7.839 21.512 ( 0.000 0.259 1.693) 1.713 21.535 ( 0.000 -1.653 -0.451) 1.714 21.677 ( 0.000 -1.648 -0.245) 1.666 21.690 ( 0.000 -2.434 -1.346) 2.782 21.884 ( 0.000 2.953 -0.336) 2.972 21.893 ( 0.000 2.024 -1.188) 2.347 22.191 ( 0.000 -0.155 -1.150) 1.160 22.195 ( 0.000 -0.483 -1.616) 1.687 26.621 ( 0.000 0.883 0.675) 1.112 26.622 ( 0.000 0.734 0.530) 0.905 26.641 ( 0.000 -0.746 0.743) 1.053 26.643 ( 0.000 -0.902 0.538) 1.050 26.910 ( 0.000 -0.033 0.187) 0.190 26.913 ( 0.000 -0.243 -0.072) 0.254 26.940 ( 0.000 0.185 0.056) 0.193 26.940 ( 0.000 0.147 0.019) 0.148 27.569 ( 0.000 0.123 0.559) 0.572 27.572 ( 0.000 -0.156 0.220) 0.270 27.633 ( 0.000 0.071 0.323) 0.331 27.635 ( 0.000 -0.080 0.155) 0.175 35.080 ( 0.000 4.037 4.163) 5.799 35.150 ( 0.000 -0.561 -2.282) 2.350 35.332 ( 0.000 -0.996 0.686) 1.209 35.385 ( 0.000 -4.212 -4.022) 5.824 35.780 ( 0.000 4.027 5.916) 7.157 35.816 ( 0.000 2.659 2.977) 3.992 36.025 ( 0.000 -0.171 3.513) 3.518 36.137 ( 0.000 -8.110 -6.761) 10.559 36.895 ( 0.000 2.530 -1.471) 2.927 36.900 ( 0.000 0.574 -1.842) 1.930 36.921 ( 0.000 2.727 -0.949) 2.887 36.997 ( 0.000 -2.259 -8.433) 8.731 38.402 ( 0.000 0.826 4.363) 4.441 38.425 ( 0.000 -0.889 3.030) 3.158 38.452 ( 0.000 0.499 1.949) 2.012 38.470 ( 0.000 -0.811 1.113) 1.377 39.688 ( 0.000 8.060 5.918) 9.999 39.697 ( 0.000 8.405 5.025) 9.793 39.972 ( 0.000 -13.739 7.040) 15.438 40.006 ( 0.000 -15.785 3.632) 16.197 40.720 ( 0.000 15.065 11.611) 19.020 40.864 ( 0.000 16.584 -1.567) 16.658 41.023 ( 0.000 -6.769 12.499) 14.214 41.243 ( 0.000 -11.768 -8.468) 14.498 ======================= Grid point 81 (35/36) ======================= q-point: ( 0.20 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( 13.483 0.418 9.127) 16.287 4.209 ( 12.772 -2.080 5.171) 13.935 4.695 ( 2.929 4.075 18.536) 19.203 4.717 ( 1.007 -0.407 8.710) 8.778 4.827 ( 1.154 4.369 7.275) 8.564 4.876 ( -0.298 4.424 6.544) 7.904 5.010 ( -3.683 7.327 -0.556) 8.219 5.026 ( -1.406 5.500 -2.863) 6.358 5.131 ( 1.543 -1.407 2.216) 3.044 5.160 ( 0.941 -4.487 -1.014) 4.696 5.398 ( 0.649 3.543 5.284) 6.395 5.479 ( -1.620 -0.300 5.851) 6.078 5.573 ( -8.242 -3.110 9.641) 13.059 5.621 ( -6.826 -4.326 8.152) 11.480 5.802 ( -1.955 -1.372 6.283) 6.722 5.881 ( -2.219 -3.147 -1.951) 4.317 5.992 ( 2.338 -0.354 5.393) 5.888 6.038 ( 0.814 -3.335 -1.081) 3.599 6.081 ( -7.354 -1.004 10.367) 12.750 6.204 ( -7.592 -7.184 11.795) 15.760 6.263 ( -1.951 5.850 -7.870) 9.998 6.284 ( -0.770 2.498 -3.725) 4.551 6.369 ( -3.730 2.064 -5.289) 6.793 6.404 ( -1.524 3.213 -1.069) 3.713 6.430 ( -3.922 -1.114 -0.139) 4.080 6.485 ( -6.317 -0.464 5.033) 8.090 6.512 ( -1.904 -0.299 -1.582) 2.494 6.577 ( -8.875 -5.730 -2.674) 10.897 6.618 ( -4.733 5.029 -3.585) 7.781 6.701 ( -7.208 -3.387 -7.873) 11.198 6.784 ( -3.512 -0.377 -4.163) 5.459 6.865 ( -4.148 -8.055 0.308) 9.065 6.900 ( -2.399 0.022 -7.415) 7.793 6.926 ( -4.091 -3.158 -15.181) 16.036 6.959 ( 3.039 -2.700 -5.330) 6.703 7.019 ( 2.313 -6.238 -8.765) 11.004 7.098 ( 0.552 -1.832 -3.983) 4.419 7.120 ( 2.212 -2.763 -3.517) 4.989 7.293 ( 6.140 -1.435 -2.698) 6.859 7.348 ( 6.482 -5.032 -8.410) 11.750 7.463 ( 9.652 4.208 7.773) 13.088 7.545 ( 7.821 3.723 7.546) 11.488 7.603 ( 2.728 2.322 -0.876) 3.688 7.703 ( 4.243 -2.205 3.321) 5.822 7.780 ( 2.673 5.741 -9.406) 11.339 7.803 ( -2.261 -2.139 2.340) 3.894 7.841 ( 0.988 1.411 -3.079) 3.528 7.927 ( 4.658 -0.659 -5.531) 7.261 8.022 ( 3.184 4.778 1.773) 6.009 8.041 ( 2.605 2.485 0.805) 3.690 8.212 ( 1.279 4.142 0.749) 4.399 8.244 ( 6.584 6.243 -3.215) 9.626 8.270 ( 2.988 6.548 -2.493) 7.617 8.307 ( -2.225 4.314 4.423) 6.567 8.323 ( 3.990 3.628 -5.540) 7.731 8.419 ( -1.368 4.551 -4.760) 6.726 8.545 ( 7.320 -9.681 3.614) 12.664 8.590 ( 2.553 -6.887 -0.594) 7.369 8.709 ( -3.259 -2.325 3.288) 5.180 8.719 ( -6.721 -0.205 1.034) 6.803 8.753 ( -0.540 -3.869 4.322) 5.826 8.788 ( -1.201 -4.605 -1.732) 5.064 8.926 ( -5.736 1.805 -0.340) 6.023 8.954 ( -0.752 7.716 0.206) 7.756 9.058 ( -5.596 -5.198 1.399) 7.765 9.086 ( 3.335 0.384 4.343) 5.489 9.190 ( -2.393 2.205 -1.409) 3.546 9.253 ( 2.252 3.217 5.503) 6.760 9.281 ( -2.077 -2.828 2.781) 4.477 9.377 ( -1.057 -7.487 -1.860) 7.787 9.395 ( 1.580 2.193 -2.090) 3.417 9.411 ( 1.365 -1.667 -3.956) 4.505 9.563 ( 7.134 2.344 -0.491) 7.525 9.574 ( 8.184 4.494 -0.888) 9.379 9.597 ( -0.719 7.017 4.923) 8.602 9.694 ( 2.535 8.228 -2.592) 8.992 9.751 ( -0.208 -5.603 7.526) 9.385 9.833 ( -0.045 3.164 0.337) 3.182 9.886 ( 1.950 -4.448 2.150) 5.312 9.967 ( -2.644 -0.549 -4.631) 5.361 10.006 ( 0.496 -1.317 4.541) 4.754 10.077 ( -0.738 -1.620 -0.363) 1.817 10.111 ( -3.192 -1.225 -0.746) 3.499 10.174 ( -2.874 -5.123 -2.703) 6.466 10.277 ( 4.951 1.492 -3.294) 6.131 10.293 ( 4.240 0.806 -3.028) 5.272 10.582 ( -4.098 -1.531 7.500) 8.683 10.626 ( -4.932 -2.052 5.167) 7.431 10.680 ( -0.073 0.783 5.451) 5.508 10.741 ( 0.347 -0.745 5.244) 5.308 10.781 ( -1.622 -1.774 -2.235) 3.283 10.823 ( -0.140 -0.417 -1.855) 1.907 10.965 ( -1.589 0.334 7.525) 7.698 11.025 ( 1.416 -3.641 3.092) 4.982 11.063 ( -2.215 1.191 8.393) 8.762 11.092 ( 0.181 -2.136 11.597) 11.794 11.196 ( 2.959 -0.775 4.062) 5.085 11.203 ( 2.686 -0.792 3.756) 4.685 11.306 ( 1.587 6.591 0.497) 6.797 11.317 ( 1.475 4.265 -0.246) 4.520 11.383 ( -0.045 2.185 -3.115) 3.805 11.429 ( 1.685 -1.956 -4.538) 5.221 11.475 ( 0.462 3.084 1.069) 3.297 11.629 ( -2.599 -9.067 -3.615) 10.101 11.682 ( 4.180 7.795 0.345) 8.852 11.776 ( 4.237 0.139 1.986) 4.681 11.797 ( 4.529 -0.796 0.281) 4.607 11.871 ( 3.787 -4.676 -1.064) 6.110 11.888 ( -1.442 -2.318 -2.368) 3.613 11.930 ( -0.442 -2.914 -1.353) 3.243 11.998 ( -0.462 0.984 -5.252) 5.363 12.015 ( 0.069 0.730 -6.182) 6.225 12.168 ( -4.411 5.808 3.809) 8.228 12.226 ( -3.698 5.833 -2.380) 7.305 12.301 ( -0.219 -4.553 2.540) 5.219 12.346 ( -0.378 -3.134 -1.580) 3.530 12.487 ( 0.579 6.756 0.276) 6.787 12.519 ( 0.362 0.385 2.356) 2.414 12.521 ( 0.713 6.621 -2.263) 7.034 12.554 ( 0.974 0.009 -0.608) 1.149 12.600 ( 2.481 0.667 3.160) 4.072 12.663 ( 2.106 -0.933 -2.035) 3.073 12.679 ( -1.986 -1.367 2.071) 3.178 12.741 ( -0.150 0.698 -5.182) 5.231 12.761 ( -1.938 -5.179 0.304) 5.538 12.808 ( -1.218 -3.636 -5.760) 6.920 12.939 ( -7.155 -0.812 -0.188) 7.203 12.953 ( -6.107 -0.846 -1.853) 6.438 13.061 ( -2.994 3.656 1.135) 4.860 13.127 ( -2.497 -2.094 -0.994) 3.407 13.176 ( -3.052 2.563 -7.245) 8.269 13.221 ( -3.430 -1.268 -8.003) 8.799 13.416 ( 2.845 -0.414 1.165) 3.102 13.466 ( 0.972 -3.938 0.219) 4.062 13.488 ( 1.856 1.831 -5.148) 5.771 13.561 ( 2.737 -2.776 -6.672) 7.727 13.690 ( 0.619 -0.308 -3.469) 3.537 13.699 ( 0.177 -0.627 -4.412) 4.460 13.883 ( -1.468 1.906 -0.837) 2.547 13.907 ( -1.073 0.113 -2.788) 2.989 14.606 ( 2.967 4.845 -2.747) 6.311 14.623 ( 1.902 3.114 -4.154) 5.530 14.925 ( -3.978 -2.384 1.051) 4.755 14.966 ( -4.585 -5.386 -3.630) 7.950 17.110 ( 1.292 2.304 3.755) 4.591 17.147 ( 1.169 0.547 0.637) 1.439 17.187 ( 0.810 -0.389 2.271) 2.443 17.226 ( 0.759 -2.255 -0.951) 2.563 17.429 ( 1.247 1.116 0.825) 1.866 17.433 ( 1.437 0.839 0.349) 1.700 17.495 ( 0.019 -0.306 1.502) 1.534 17.508 ( -0.034 -1.326 0.271) 1.354 17.655 ( 1.888 2.901 0.980) 3.598 17.674 ( 1.296 1.575 -0.824) 2.200 17.850 ( -1.405 -1.804 1.881) 2.961 17.880 ( -1.972 -3.956 -1.120) 4.560 18.543 ( 0.702 1.941 -1.281) 2.429 18.547 ( 0.649 1.341 -1.785) 2.325 18.611 ( -0.091 0.033 -1.156) 1.160 18.631 ( -0.303 -1.142 -3.035) 3.257 18.969 ( 1.450 1.218 -2.386) 3.046 18.987 ( 1.456 -0.098 -4.085) 4.337 19.134 ( -2.546 -1.211 -2.417) 3.714 19.141 ( -2.241 -1.611 -3.118) 4.164 19.319 ( 1.638 5.038 0.166) 5.300 19.350 ( 1.112 3.608 -2.523) 4.541 19.546 ( -0.641 -4.089 1.299) 4.338 19.595 ( -1.484 -6.941 -3.134) 7.759 20.874 ( 0.410 8.417 1.602) 8.578 20.901 ( -0.144 9.752 -0.982) 9.803 21.077 ( 0.183 -6.316 3.193) 7.080 21.131 ( -1.114 -7.249 -2.155) 7.644 21.528 ( 1.599 0.732 1.379) 2.235 21.556 ( 1.787 -1.295 -1.265) 2.543 21.669 ( -0.745 -2.083 -0.108) 2.215 21.684 ( -0.596 -2.824 -1.430) 3.221 21.903 ( 1.952 3.247 -0.344) 3.805 21.913 ( 1.967 2.300 -1.256) 3.277 22.160 ( -2.955 -0.400 -1.105) 3.180 22.164 ( -2.985 -0.682 -1.514) 3.416 26.619 ( -0.111 0.864 0.686) 1.109 26.621 ( -0.096 0.771 0.481) 0.914 26.640 ( -0.063 -0.799 0.725) 1.081 26.642 ( -0.097 -0.894 0.541) 1.049 26.914 ( 0.351 0.076 0.176) 0.400 26.917 ( 0.354 -0.137 -0.093) 0.391 26.939 ( -0.085 0.089 0.052) 0.134 26.940 ( -0.059 0.041 -0.011) 0.073 27.574 ( 0.497 0.133 0.549) 0.752 27.577 ( 0.491 -0.146 0.210) 0.553 27.626 ( -0.658 0.046 0.318) 0.732 27.627 ( -0.691 -0.066 0.196) 0.722 35.134 ( 5.131 4.144 4.218) 7.829 35.201 ( 4.804 0.013 -1.942) 5.182 35.376 ( 3.853 -1.464 1.435) 4.365 35.435 ( 4.270 -4.990 -3.853) 7.615 35.743 ( -3.133 4.345 5.205) 7.469 35.784 ( -2.739 2.683 1.802) 4.237 35.978 ( -4.495 -0.190 3.167) 5.502 36.085 ( -5.109 -7.550 -6.684) 11.304 36.893 ( -0.057 2.226 -1.045) 2.460 36.903 ( 0.014 2.351 -2.116) 3.164 36.922 ( 0.266 0.814 -1.249) 1.514 36.986 ( -1.056 -2.147 -7.622) 7.988 38.412 ( 0.897 0.672 4.038) 4.190 38.430 ( 0.526 -0.725 2.934) 3.068 38.453 ( 0.017 0.418 2.096) 2.137 38.467 ( -0.267 -0.648 1.400) 1.565 39.688 ( 0.030 8.255 5.836) 10.110 39.696 ( -0.074 8.490 5.018) 9.863 39.969 ( -0.272 -14.172 6.755) 15.702 39.996 ( -0.895 -15.770 3.984) 16.290 40.728 ( 0.838 15.409 10.334) 18.573 40.848 ( -1.665 17.468 -1.124) 17.583 41.028 ( 0.741 -8.250 11.658) 14.301 41.209 ( -3.187 -11.445 -6.060) 13.337 ======================= Grid point 82 (36/36) ======================= q-point: ( 0.40 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( 15.139 0.600 7.076) 16.722 4.520 ( 16.024 -1.822 4.270) 16.683 4.698 ( -4.610 0.822 7.451) 8.800 4.725 ( -2.547 -0.412 9.488) 9.833 4.857 ( 2.130 9.052 7.286) 11.814 4.877 ( 1.436 7.241 4.686) 8.743 4.925 ( -4.571 8.199 1.420) 9.493 4.955 ( -5.238 7.493 1.214) 9.223 5.206 ( 4.716 -2.496 5.954) 7.995 5.219 ( 7.260 -3.558 5.602) 9.836 5.377 ( -8.823 -1.434 8.617) 12.416 5.417 ( -8.429 -4.790 6.594) 11.726 5.435 ( 4.265 1.760 8.216) 9.423 5.544 ( -2.404 -0.443 3.404) 4.191 5.693 ( -3.727 -10.361 12.686) 16.798 5.805 ( -9.514 -14.564 4.999) 18.101 5.923 ( 0.248 4.661 6.150) 7.720 6.002 ( -3.083 1.937 8.193) 8.965 6.049 ( 0.466 -1.505 0.469) 1.643 6.086 ( -0.066 -5.065 8.699) 10.067 6.173 ( -5.386 5.430 -6.627) 10.119 6.230 ( -8.676 2.104 -10.397) 13.704 6.313 ( 2.169 -2.276 -11.782) 12.194 6.365 ( -2.375 -0.441 2.044) 3.164 6.385 ( -1.370 -0.771 -6.138) 6.336 6.396 ( -0.242 2.303 -2.075) 3.109 6.483 ( 0.770 1.653 0.442) 1.877 6.504 ( -1.642 -1.971 -2.372) 3.494 6.567 ( -1.705 0.690 -8.135) 8.340 6.590 ( -2.456 5.264 -8.379) 10.196 6.717 ( -1.447 -3.662 -6.028) 7.200 6.753 ( -3.887 -4.460 -5.353) 7.978 6.853 ( -0.806 -1.970 -5.573) 5.965 6.876 ( -2.439 0.219 -7.221) 7.625 6.977 ( 1.019 -9.147 -6.029) 11.003 7.010 ( -1.887 -9.512 -8.494) 12.891 7.217 ( 8.163 2.429 -0.967) 8.572 7.277 ( 7.886 -2.875 -6.280) 10.484 7.338 ( -2.214 0.328 0.531) 2.300 7.386 ( -2.551 -3.895 -3.918) 6.085 7.590 ( 4.542 5.937 6.524) 9.922 7.654 ( 0.605 3.834 -0.053) 3.882 7.700 ( 5.185 2.091 4.809) 7.374 7.748 ( 0.577 -4.141 6.520) 7.745 7.844 ( 6.698 2.701 2.442) 7.624 7.883 ( 3.420 -0.840 2.093) 4.097 7.933 ( 9.002 6.941 -2.946) 11.742 8.019 ( 0.531 4.168 -1.257) 4.385 8.053 ( -1.009 -3.665 -3.724) 5.322 8.097 ( 5.991 1.348 -2.881) 6.783 8.137 ( -6.933 5.190 3.725) 9.428 8.242 ( -2.104 11.896 0.221) 12.083 8.251 ( -5.284 1.987 -3.066) 6.424 8.306 ( -2.317 5.569 -1.282) 6.166 8.416 ( 3.913 2.853 -2.248) 5.339 8.440 ( 0.937 5.369 -6.392) 8.400 8.492 ( -4.475 -7.991 -0.977) 9.211 8.528 ( -4.022 -6.045 -4.761) 8.683 8.690 ( -0.948 -4.640 5.476) 7.240 8.746 ( 2.808 1.128 2.889) 4.184 8.752 ( -0.904 -6.944 4.666) 8.415 8.814 ( 7.463 2.252 0.711) 7.828 8.911 ( 5.094 0.061 -0.230) 5.099 8.934 ( -2.065 1.907 -1.921) 3.404 9.050 ( -2.137 5.520 4.692) 7.553 9.086 ( -5.984 3.848 1.965) 7.381 9.198 ( 2.549 -4.165 -1.439) 5.090 9.235 ( 6.578 1.599 -1.380) 6.909 9.280 ( -1.662 -10.040 4.691) 11.206 9.368 ( -4.122 4.849 3.584) 7.304 9.379 ( 2.511 -7.731 -1.366) 8.243 9.455 ( -1.307 0.131 0.042) 1.314 9.626 ( 4.614 2.284 0.681) 5.193 9.652 ( 1.140 2.672 0.052) 2.905 9.679 ( -1.078 3.990 -2.026) 4.603 9.690 ( 2.159 1.326 -1.429) 2.909 9.795 ( 1.197 -1.477 2.060) 2.803 9.828 ( 0.153 1.391 -0.414) 1.460 9.881 ( 0.238 -0.143 -0.076) 0.288 9.950 ( -0.922 -6.366 -4.642) 7.932 10.001 ( -1.199 1.520 3.467) 3.971 10.019 ( -4.252 1.593 1.763) 4.871 10.084 ( 1.243 -4.147 3.174) 5.368 10.123 ( -1.709 -6.997 0.238) 7.207 10.389 ( 5.903 1.176 1.450) 6.191 10.400 ( 6.259 0.293 -0.302) 6.273 10.494 ( -4.592 -0.947 5.333) 7.101 10.519 ( -5.458 -2.339 3.028) 6.665 10.705 ( 2.517 3.508 1.794) 4.675 10.744 ( -0.158 1.022 0.320) 1.082 10.785 ( 0.695 -0.532 -0.333) 0.936 10.821 ( -1.504 -1.944 -3.028) 3.900 10.905 ( -1.395 5.876 7.570) 9.684 10.958 ( -4.911 2.987 2.602) 6.310 11.053 ( 0.116 -5.934 8.478) 10.349 11.070 ( -1.333 -8.161 8.828) 12.096 11.262 ( 3.473 2.313 3.141) 5.222 11.300 ( 2.100 3.509 -4.521) 6.097 11.340 ( 3.414 -0.000 4.319) 5.506 11.371 ( 2.534 4.929 -0.861) 5.609 11.386 ( 0.277 5.981 0.068) 5.987 11.431 ( -1.973 -2.154 -0.474) 2.959 11.515 ( 2.907 -0.867 3.884) 4.929 11.566 ( -2.600 -3.845 -1.151) 4.783 11.766 ( 2.315 4.409 -1.446) 5.185 11.790 ( -1.839 2.027 -2.848) 3.950 11.868 ( 0.969 -0.996 2.825) 3.149 11.903 ( -0.147 -3.881 4.406) 5.874 11.920 ( 4.211 1.273 -0.971) 4.505 11.948 ( 3.041 -0.178 -1.015) 3.211 11.999 ( -0.801 1.233 -3.065) 3.399 12.011 ( -1.446 -0.168 -3.878) 4.142 12.117 ( 0.259 6.509 1.164) 6.617 12.156 ( -2.944 6.371 -2.345) 7.399 12.302 ( 0.718 -7.784 1.014) 7.882 12.327 ( -1.349 -6.714 -0.804) 6.895 12.506 ( 0.830 5.192 -0.732) 5.308 12.529 ( 2.628 1.541 -1.990) 3.639 12.535 ( -0.712 -0.486 2.545) 2.687 12.589 ( 2.439 -0.004 -0.681) 2.532 12.636 ( -1.812 -4.380 1.252) 4.903 12.658 ( 2.087 -1.314 -0.070) 2.467 12.685 ( -0.784 0.773 0.028) 1.101 12.719 ( -2.684 -1.851 -2.509) 4.113 12.744 ( -0.153 0.210 -0.692) 0.740 12.772 ( 0.824 0.189 -3.246) 3.355 12.797 ( -4.733 -1.336 -0.948) 5.009 12.859 ( -4.316 -4.191 -5.564) 8.195 13.012 ( -0.317 6.274 -2.709) 6.841 13.069 ( -4.327 2.980 -3.249) 6.178 13.095 ( -1.272 1.744 -9.471) 9.714 13.135 ( -4.156 -0.977 -7.670) 8.778 13.479 ( 2.910 -2.645 -1.490) 4.205 13.493 ( 1.418 -3.134 -1.236) 3.655 13.520 ( 0.682 -2.497 -5.388) 5.977 13.558 ( -2.431 -4.475 -6.984) 8.644 13.742 ( 3.754 2.409 -0.643) 4.506 13.751 ( 4.507 2.219 -1.548) 5.257 13.835 ( -3.035 1.532 -0.393) 3.423 13.859 ( -3.672 -0.079 -2.651) 4.530 14.678 ( 3.212 4.203 -1.310) 5.450 14.681 ( 3.708 4.575 -1.588) 6.099 14.836 ( -3.741 -3.183 -0.397) 4.928 14.858 ( -5.235 -4.402 -2.789) 7.386 17.138 ( 1.350 2.682 2.514) 3.916 17.156 ( -0.326 2.617 0.745) 2.741 17.215 ( 1.561 -3.489 2.223) 4.422 17.234 ( -0.180 -3.640 0.375) 3.664 17.453 ( 0.924 1.708 0.768) 2.088 17.458 ( 0.620 1.689 0.270) 1.819 17.495 ( 0.205 -1.199 0.485) 1.310 17.504 ( -0.427 -1.481 -0.310) 1.572 17.702 ( 2.244 3.938 0.611) 4.574 17.708 ( 1.606 3.371 0.033) 3.734 17.819 ( -1.252 -2.800 1.040) 3.239 17.832 ( -2.378 -3.743 -0.284) 4.444 18.556 ( 0.475 2.360 -1.472) 2.822 18.558 ( 0.288 2.211 -1.663) 2.782 18.613 ( 0.333 -1.846 -1.347) 2.309 18.622 ( -0.525 -2.124 -2.245) 3.135 19.008 ( 2.298 0.931 -2.517) 3.533 19.023 ( 1.741 0.111 -3.950) 4.319 19.079 ( -2.383 -1.818 -2.387) 3.832 19.090 ( -2.559 -2.267 -3.433) 4.845 19.352 ( 1.434 7.141 -0.292) 7.290 19.366 ( 0.148 7.027 -1.535) 7.194 19.539 ( 0.244 -6.999 0.638) 7.032 19.560 ( -1.710 -7.664 -1.267) 7.954 20.885 ( 0.582 9.004 0.883) 9.066 20.895 ( -0.416 9.597 -0.133) 9.607 21.085 ( 0.701 -7.030 1.662) 7.258 21.105 ( -1.275 -7.249 -0.350) 7.368 21.568 ( 2.038 1.581 0.128) 2.583 21.587 ( 0.647 1.047 -1.774) 2.159 21.654 ( -0.285 -4.116 -0.115) 4.127 21.667 ( -1.089 -3.994 -1.316) 4.344 21.956 ( 2.874 4.475 -0.557) 5.348 21.963 ( 2.479 3.981 -1.219) 4.845 22.089 ( -3.274 -1.833 -0.975) 3.876 22.093 ( -3.379 -1.957 -1.314) 4.120 26.618 ( -0.011 0.848 0.612) 1.046 26.619 ( -0.115 0.814 0.500) 0.962 26.639 ( -0.008 -0.870 0.662) 1.094 26.640 ( -0.090 -0.891 0.582) 1.068 26.922 ( 0.379 0.367 0.083) 0.534 26.924 ( 0.263 0.285 -0.098) 0.400 26.937 ( -0.133 -0.277 0.057) 0.312 26.937 ( -0.163 -0.284 -0.032) 0.329 27.588 ( 0.895 0.152 0.495) 1.034 27.591 ( 0.834 -0.074 0.207) 0.863 27.609 ( -1.002 0.016 0.379) 1.072 27.610 ( -0.951 -0.110 0.216) 0.982 35.260 ( 6.527 4.794 3.777) 8.936 35.307 ( 3.779 3.501 -0.549) 5.181 35.439 ( 1.622 -5.228 3.712) 6.613 35.486 ( -1.165 -6.566 -0.417) 6.682 35.710 ( 1.571 5.610 1.918) 6.133 35.754 ( 0.209 4.786 -2.348) 5.335 35.876 ( -3.392 -3.038 1.411) 4.767 35.950 ( -7.602 -6.358 -5.501) 11.335 36.894 ( 0.144 2.538 -0.832) 2.675 36.899 ( -0.310 2.996 -1.134) 3.219 36.936 ( 1.064 -1.058 -3.367) 3.686 36.961 ( -1.370 -1.755 -5.646) 6.069 38.432 ( 0.999 0.459 3.195) 3.379 38.442 ( 0.444 -0.045 2.395) 2.436 38.451 ( -0.153 -0.096 2.768) 2.774 38.459 ( -0.557 -0.470 2.129) 2.250 39.690 ( 0.175 8.643 5.543) 10.269 39.694 ( -0.167 8.720 5.167) 10.137 39.966 ( 0.135 -15.100 5.964) 16.235 39.977 ( -0.904 -15.666 4.890) 16.437 40.756 ( 1.956 16.359 6.797) 17.823 40.803 ( -2.583 17.489 2.130) 17.807 41.061 ( 2.713 -9.846 7.043) 12.405 41.132 ( -4.100 -10.711 0.010) 11.469 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/35640 10.0 2333.238 672.925 2001.939 0.000 0.000 -0.000 3/35640 20.0 2550.201 1761.053 2189.051 0.000 0.000 -0.000 3/35640 30.0 1084.464 984.739 1099.630 0.000 0.000 -0.000 3/35640 40.0 488.673 460.562 534.846 0.000 0.000 0.000 3/35640 50.0 241.745 225.176 275.765 0.000 0.000 0.000 3/35640 60.0 135.333 124.504 159.730 0.000 0.000 0.000 3/35640 70.0 84.618 77.280 102.725 0.000 0.000 0.000 3/35640 80.0 57.758 52.555 71.723 0.000 0.000 0.000 3/35640 90.0 42.186 38.325 53.337 0.000 0.000 0.000 3/35640 100.0 32.463 29.479 41.635 0.000 0.000 0.000 3/35640 110.0 26.014 23.626 33.748 0.000 0.000 0.000 3/35640 120.0 21.520 19.553 28.176 0.000 0.000 0.000 3/35640 130.0 18.256 16.597 24.085 0.000 0.000 0.000 3/35640 140.0 15.805 14.377 20.982 0.000 0.000 0.000 3/35640 150.0 13.911 12.661 18.564 0.000 0.000 0.000 3/35640 160.0 12.410 11.302 16.636 0.000 0.000 0.000 3/35640 170.0 11.197 10.203 15.069 0.000 0.000 0.000 3/35640 180.0 10.199 9.299 13.773 0.000 0.000 0.000 3/35640 190.0 9.365 8.543 12.684 0.000 0.000 0.000 3/35640 200.0 8.659 7.902 11.759 0.000 0.000 0.000 3/35640 210.0 8.053 7.353 10.963 0.000 0.000 0.000 3/35640 220.0 7.529 6.877 10.272 0.000 0.000 0.000 3/35640 230.0 7.071 6.462 9.667 0.000 0.000 0.000 3/35640 240.0 6.667 6.096 9.132 0.000 0.000 0.000 3/35640 250.0 6.309 5.770 8.656 0.000 0.000 0.000 3/35640 260.0 5.989 5.480 8.230 0.000 0.000 0.000 3/35640 270.0 5.701 5.219 7.847 0.000 0.000 0.000 3/35640 280.0 5.441 4.983 7.500 0.000 0.000 0.000 3/35640 290.0 5.205 4.769 7.184 0.000 0.000 0.000 3/35640 300.0 4.989 4.574 6.896 0.000 0.000 0.000 3/35640 310.0 4.792 4.395 6.631 0.000 0.000 0.000 3/35640 320.0 4.610 4.231 6.388 0.000 0.000 0.000 3/35640 330.0 4.442 4.079 6.163 0.000 0.000 0.000 3/35640 340.0 4.287 3.939 5.955 0.000 0.000 0.000 3/35640 350.0 4.143 3.809 5.762 0.000 0.000 0.000 3/35640 360.0 4.009 3.688 5.581 0.000 0.000 0.000 3/35640 370.0 3.884 3.575 5.413 0.000 0.000 0.000 3/35640 380.0 3.767 3.469 5.256 0.000 0.000 0.000 3/35640 390.0 3.657 3.370 5.108 0.000 0.000 0.000 3/35640 400.0 3.554 3.277 4.969 0.000 0.000 0.000 3/35640 410.0 3.457 3.189 4.838 0.000 0.000 0.000 3/35640 420.0 3.365 3.106 4.715 0.000 0.000 0.000 3/35640 430.0 3.278 3.028 4.598 0.000 0.000 0.000 3/35640 440.0 3.196 2.954 4.487 0.000 0.000 0.000 3/35640 450.0 3.118 2.884 4.383 0.000 0.000 0.000 3/35640 460.0 3.045 2.817 4.283 0.000 0.000 0.000 3/35640 470.0 2.974 2.754 4.188 0.000 0.000 0.000 3/35640 480.0 2.907 2.694 4.098 0.000 0.000 0.000 3/35640 490.0 2.844 2.637 4.012 0.000 0.000 0.000 3/35640 500.0 2.783 2.582 3.930 0.000 0.000 0.000 3/35640 510.0 2.725 2.529 3.851 0.000 0.000 0.000 3/35640 520.0 2.669 2.479 3.776 0.000 0.000 0.000 3/35640 530.0 2.616 2.431 3.704 0.000 0.000 0.000 3/35640 540.0 2.564 2.385 3.635 0.000 0.000 0.000 3/35640 550.0 2.515 2.341 3.569 0.000 0.000 0.000 3/35640 560.0 2.468 2.299 3.505 0.000 0.000 0.000 3/35640 570.0 2.423 2.258 3.444 0.000 0.000 0.000 3/35640 580.0 2.379 2.219 3.385 0.000 0.000 0.000 3/35640 590.0 2.337 2.181 3.329 0.000 0.000 0.000 3/35640 600.0 2.297 2.145 3.274 0.000 0.000 0.000 3/35640 610.0 2.258 2.110 3.221 0.000 0.000 0.000 3/35640 620.0 2.220 2.076 3.170 0.000 0.000 0.000 3/35640 630.0 2.184 2.043 3.121 0.000 0.000 0.000 3/35640 640.0 2.149 2.011 3.073 0.000 0.000 0.000 3/35640 650.0 2.115 1.981 3.027 0.000 0.000 0.000 3/35640 660.0 2.082 1.951 2.983 0.000 0.000 0.000 3/35640 670.0 2.051 1.922 2.940 0.000 0.000 0.000 3/35640 680.0 2.020 1.895 2.898 0.000 0.000 0.000 3/35640 690.0 1.990 1.868 2.857 0.000 0.000 0.000 3/35640 700.0 1.961 1.842 2.818 0.000 0.000 0.000 3/35640 710.0 1.933 1.816 2.780 0.000 0.000 0.000 3/35640 720.0 1.906 1.792 2.743 0.000 0.000 0.000 3/35640 730.0 1.879 1.768 2.707 0.000 0.000 0.000 3/35640 740.0 1.854 1.744 2.672 0.000 0.000 0.000 3/35640 750.0 1.829 1.722 2.638 0.000 0.000 0.000 3/35640 760.0 1.804 1.700 2.605 0.000 0.000 0.000 3/35640 770.0 1.781 1.678 2.572 0.000 0.000 0.000 3/35640 780.0 1.758 1.658 2.541 0.000 0.000 0.000 3/35640 790.0 1.735 1.637 2.510 0.000 0.000 0.000 3/35640 800.0 1.713 1.618 2.481 0.000 0.000 0.000 3/35640 810.0 1.692 1.598 2.452 0.000 0.000 0.000 3/35640 820.0 1.672 1.579 2.423 0.000 0.000 0.000 3/35640 830.0 1.651 1.561 2.396 0.000 0.000 0.000 3/35640 840.0 1.632 1.543 2.369 0.000 0.000 0.000 3/35640 850.0 1.612 1.526 2.342 0.000 0.000 0.000 3/35640 860.0 1.594 1.509 2.317 0.000 0.000 0.000 3/35640 870.0 1.575 1.492 2.291 0.000 0.000 0.000 3/35640 880.0 1.558 1.476 2.267 0.000 0.000 0.000 3/35640 890.0 1.540 1.460 2.243 0.000 0.000 0.000 3/35640 900.0 1.523 1.444 2.219 0.000 0.000 0.000 3/35640 910.0 1.506 1.429 2.196 0.000 0.000 0.000 3/35640 920.0 1.490 1.414 2.174 0.000 0.000 0.000 3/35640 930.0 1.474 1.400 2.152 0.000 0.000 0.000 3/35640 940.0 1.458 1.385 2.131 0.000 0.000 0.000 3/35640 950.0 1.443 1.372 2.110 0.000 0.000 0.000 3/35640 960.0 1.428 1.358 2.089 0.000 0.000 0.000 3/35640 970.0 1.414 1.344 2.069 0.000 0.000 0.000 3/35640 980.0 1.399 1.331 2.049 0.000 0.000 0.000 3/35640 990.0 1.385 1.319 2.030 0.000 0.000 0.000 3/35640 1000.0 1.372 1.306 2.011 0.000 0.000 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m5311.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:13:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|